SCHEMBL3640951

SCHEMBL3640951

CNC(=O)c1ccc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.54
▸ SMAD3 P84022 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ F7 P08709 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MMP13 P45452 2/20 0.48
▸ NHERF1 O14745 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46

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
SCHEMBL3642463 0.89 ALOX15 (0.52) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL6515240 0.88 PIN1 (0.59) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL4137392 0.88 CDK8 (0.51) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL22777743 0.81 KDM4E (0.66) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3700465 0.81 KDM4E (0.66) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL20494483 0.78 KDM4E (0.76) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3499567 0.78 F7 (0.76) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3638893 0.77 ALOX15 (0.49) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL23512373 0.77 PIN1 (0.56) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL4263996 0.77 PDGFRB (0.61) PIN1SMAD3KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 — — US claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 — — EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 — — US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 — — WO 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PIN1 2950/4885SMAD3 4209/4885KDM4E 3048/4885

“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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