SCHEMBL4885587

SCHEMBL4885587

COc1ccc2c(C)c(C(=O)O)n(Cc3ccccc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.64
PLA2G2A P14555 6/20 0.61
TP53 P04637 5/20 0.61
MAPT P10636 2/20 0.59
EDNRB P24530 2/20 0.55
EDNRA P25101 2/20 0.55
PLA2G1B P04054 1/20 0.55
CNR2 P34972 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
YWHAH Q04917 2/20 0.53

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
SCHEMBL29952730 0.84 MAPT (0.62) PLA2G10PLA2G2ATP53MAPTEDNRB
SCHEMBL17625299 0.81 FOLH1 (0.62)
SCHEMBL13764925 0.79 PLA2G10 (0.56) PLA2G10PLA2G2APLA2G1BCNR2MTNR1A
SCHEMBL2552008 0.78 TP53 (0.60) TP53MAPTYWHAH
SCHEMBL2555312 0.78 TP53 (0.59) TP53MAPTYWHAH
SCHEMBL7963220 0.78 PLA2G10 (1.00) PLA2G10PLA2G2APLA2G1B
SCHEMBL3726839 0.77 S1PR3 (0.67) PLA2G10PLA2G2ACNR2
SCHEMBL2272636 0.77 KDM4E (0.49) MAPT
SCHEMBL3471153 0.77 KMT2A (0.68) PLA2G10PLA2G2APLA2G1BCNR2MTNR1A
SCHEMBL7963970 0.76 PLA2G2A (1.00) PLA2G10PLA2G2APLA2G1B

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 PLA2G10 217/4885PLA2G2A 114/4885TP53 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.