SCHEMBL820778

SCHEMBL820778

CC(C)(C)c1cc(-c2ccccc2)c(C(F)(F)F)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
S1PR1 P21453 10/20 0.47
S1PR5 Q9H228 8/20 0.41
ALOX15 P16050 1/20 0.41
DGAT1 O75907 1/20 0.39
S1PR3 Q99500 5/20 0.36
C1S P09871 1/20 0.36
S1PR4 O95977 6/20 0.36
ENPP1 P22413 1/20 0.36
TACR1 P25103 3/20 0.35
KIF11 P52732 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14327709 0.87 PLK1 (0.42) PLK1S1PR1BACE1L3MBTL1
SCHEMBL8423071 0.79 PLK1 (0.55) PLK1S1PR1S1PR5ALOX15DGAT1
SCHEMBL2616385 0.77 CYP2A6 (0.38) PLK1C1SBACE1
SCHEMBL10078954 0.75 MAPK14 (0.40) PLK1BACE1
SCHEMBL10167108 0.75 TDO2 (0.39) PLK1BACE1GAA
SCHEMBL10112445 0.75 PLK1 (0.51) PLK1S1PR1S1PR5ALOX15DGAT1
SCHEMBL16403658 0.75 PLK1 (0.51) PLK1S1PR1S1PR5ALOX15DGAT1
SCHEMBL1029129 0.72 PLK1 (0.52) PLK1S1PR1S1PR5ALOX15S1PR3
SCHEMBL5988215 0.72 PLK1 (0.49) PLK1S1PR1S1PR5ALOX15DGAT1
SCHEMBL2324402 0.72 PLK1 (0.52) PLK1S1PR1S1PR5ALOX15DGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PLK1 4075/4885S1PR1 2017/4885S1PR5 2171/4885
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES ACHE, CHAT, APP PLK1 4358/4885S1PR1 3306/4885S1PR5 3371/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PLK1 4075/4885S1PR1 2017/4885S1PR5 2171/4885
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, AANAT PLK1 4131/4885S1PR1 4072/4885S1PR5 3930/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT PLK1 4749/4885S1PR1 3731/4885S1PR5 3751/4885
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, CHRNA2 PLK1 3894/4885S1PR1 3786/4885S1PR5 3480/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PLK1 4075/4885S1PR1 2017/4885S1PR5 2171/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP PLK1 4075/4885S1PR1 2017/4885S1PR5 2171/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF PLK1 3009/4885S1PR1 1695/4885S1PR5 2220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.