SCHEMBL1980441

SCHEMBL1980441

Cc1sc(N)nc1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.33
COPS5 Q92905 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL24371480 0.81 ALDH1A1 (0.40) NOS1ALDH1A1MAPTCYP1A2HPGD
SCHEMBL16636292 0.80 ALDH1A1 (0.46) NOS1ALDH1A1MAPTCYP1A2NPC1
SCHEMBL6258086 0.76 NOS1 (0.52) NOS1ALDH1A1MAPTCYP1A2NPC1
SCHEMBL999648 0.74 ALDH1A1 (0.43) NOS1ALDH1A1MAPTCYP1A2COPS5
SCHEMBL27698667 0.74 NOS1 (0.38) NOS1ALDH1A1MAPTCYP1A2RAB9A
SCHEMBL3060689 0.68 NOS1 (0.48) NOS1ALDH1A1MAPTCYP1A2COPS5
SCHEMBL5220478 0.68 PKM (0.46) ALDH1A1MAPTCYP1A2COPS5NPC1
SCHEMBL1565803 0.68 HSD17B10 (0.46) NOS1ALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL27740371 0.67 NOS1 (0.46) NOS1ALDH1A1MAPTCYP1A2COPS5
SCHEMBL4527669 0.67 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-14 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 (4 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 NOS1 567/4885ALDH1A1 51/4885MAPT 1167/4885
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP NOS1 567/4885ALDH1A1 51/4885MAPT 1167/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP NOS1 567/4885ALDH1A1 51/4885MAPT 1167/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP NOS1 567/4885ALDH1A1 51/4885MAPT 1167/4885

“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.