SCHEMBL12601937

SCHEMBL12601937

Cc1cccc(CCOc2cc(C(=O)NC3(C(=O)O)Cc4ccc(C(N)=O)cc4C3)ccc2O)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.68
▸ GPR132 Q9UNW8 1/20 0.41
▸ CXCR5 P32302 11/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SMPD1 P17405 1/20 0.36

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
SCHEMBL1560326 0.92 LPAR1 (0.79) LPAR1GPR132CXCR5
SCHEMBL1561711 0.92 LPAR1 (0.70) LPAR1GPR132CXCR5SIRT2SMPD1
Fipaxalparant SCHEMBL29382253 0.84 LPAR1 (0.78) LPAR1GPR132CXCR5SMPD1
SCHEMBL1560931 0.84 LPAR1 (0.78) LPAR1GPR132CXCR5
SCHEMBL1560260 0.84 LPAR1 (0.67) LPAR1GPR132CXCR5SIRT2SMPD1
Fipaxalparant SCHEMBL29398637 0.84 LPAR1 (0.78) LPAR1GPR132CXCR5SMPD1
Fipaxalparant SCHEMBL1560214 0.84 LPAR1 (0.78) LPAR1GPR132CXCR5SMPD1
SCHEMBL1561397 0.84 LPAR1 (0.69) LPAR1CXCR5SMPD1
SCHEMBL1560271 0.83 LPAR1 (0.70) LPAR1GPR132CXCR5SMPD1
SCHEMBL1561481 0.82 LPAR1 (0.78) LPAR1GPR132CXCR5SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 — — 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-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885GPR132 539/4885CXCR5 438/4885

“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.

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