SCHEMBL256686

SCHEMBL256686

CCc1c(-c2ccccc2Cl)noc1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
HSD17B10 Q99714 1/20 0.55
GPBAR1 Q8TDU6 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL21119516 0.87 PTGS1 (0.59) PTGS1PTGS2HSD17B10GPBAR1TDP1
SCHEMBL12168915 0.82 TDP1 (0.55) PTGS2GPBAR1TDP1ALDH1A1MAPT
SCHEMBL11234151 0.82 PTGS1 (0.54) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL27936756 0.81 CYP2C19 (0.60) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL5242041 0.80 HSD17B10 (0.65) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL10394013 0.80 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1TDP1
SCHEMBL10083918 0.80 PTGS1 (0.66) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL5774888 0.79 CYP2C19 (0.58) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL14258658 0.77 PTGS1 (0.62) PTGS1PTGS2HSD17B10GPBAR1ALDH1A1
SCHEMBL256699 0.76 PTGS1 (0.59) PTGS1PTGS2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO 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-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-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (6 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 PTGS1 807/4885PTGS2 899/4885HSD17B10 59/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 PTGS1 1005/4885PTGS2 1588/4885HSD17B10 1632/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PTGS1 807/4885PTGS2 899/4885HSD17B10 59/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PTGS1 807/4885PTGS2 899/4885HSD17B10 59/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP PTGS1 807/4885PTGS2 899/4885HSD17B10 59/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF PTGS1 482/4885PTGS2 353/4885HSD17B10 443/4885

“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.