SCHEMBL6710706

SCHEMBL6710706

CC(C)CC(C(=O)Nc1cc(C#N)ccc1Cc1ccccc1C(=O)NS(=O)(=O)c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.46
LARS1 Q9P2J5 3/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CXCR2 P25025 1/20 0.34
USP30 Q70CQ3 2/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGER3 P43115 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
SCHEMBL5352243 0.89 PTGER4 (0.58) PTGER4
SCHEMBL5352209 0.88 PTGER4 (0.59) PTGER4
SCHEMBL5352224 0.88 PTGER4 (0.58) PTGER4
SCHEMBL5351605 0.86 PTGER4 (0.49) PTGER4PTGER3
SCHEMBL5352233 0.85 PTGER4 (0.49) PTGER4
SCHEMBL14569820 0.80 PTGER4 (0.42) PTGER4FNTAFNTBPTGER3
SCHEMBL6339372 0.79 PTGER4 (0.46) PTGER4PTGER3
SCHEMBL6347395 0.78 PTGER4 (0.51) PTGER4PTGER3
SCHEMBL5350571 0.78 PTGER4 (0.75) PTGER4
SCHEMBL6346170 0.77 KDM4E (0.41) PTGER4CXCR2

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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US claimed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP claimed
US-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP 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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES PTGER4 2/4885LARS1 4628/4885FLT1 3631/4885

“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.