SCHEMBL4883801

SCHEMBL4883801

COc1ccc2c(C(C)=O)c(C(=O)O)n(Cc3ccccn3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.52
S1PR3 Q99500 9/20 0.51
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G10 O15496 1/20 0.43
SYK P43405 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43

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
SCHEMBL4886212 0.87 S1PR3 (0.58) PLA2G2AS1PR3TP53
SCHEMBL4877487 0.82 S1PR3 (0.58) PLA2G2AS1PR3
SCHEMBL4882129 0.81 S1PR3 (0.76) S1PR3
SCHEMBL4883791 0.78 PLA2G2A (0.52) PLA2G2AS1PR3TP53MAPTKMT2A
SCHEMBL30790905 0.74 CCR2 (0.58) PLA2G2AMEN1KMT2A
SCHEMBL4882460 0.73 S1PR3 (0.87) S1PR3
SCHEMBL14154119 0.73 PLA2G2A (0.49) PLA2G2AS1PR3MEN1KMT2ASYK
SCHEMBL4883805 0.73 PLA2G2A (0.45) PLA2G2AS1PR3MAPTMEN1KMT2A
SCHEMBL4885505 0.72 S1PR3 (0.88) S1PR3
SCHEMBL4877531 0.71 S1PR3 (0.48) PLA2G2AS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 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 (1 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-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R PLA2G2A 114/4885S1PR3 6/4885TP53 4095/4885

“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.