SCHEMBL3316474

SCHEMBL3316474

O=C(S)N1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.38
AKR1C3 P42330 1/20 0.37
HTR2C P28335 6/20 0.35
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
TYMP P19971 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23651895 0.80 NCF1 (0.46)
SCHEMBL3317239 0.80 ALDH1A1 (0.32)
SCHEMBL485135 0.79 ALOX5 (0.45) ALOX5EPHX2AKR1C3HTR2CITGB3
SCHEMBL4578235 0.77 ALOX5 (0.44) ALOX5EPHX2AKR1C3HTR2CITGB3
SCHEMBL3314951 0.77 CYP1A2 (0.44) ALOX5EPHX2AKR1C3
SCHEMBL7963367 0.77 ALOX5 (0.44) ALOX5EPHX2AKR1C3HTR2CITGB3
SCHEMBL1713095 0.77 ALOX5 (0.44) ALOX5EPHX2AKR1C3ITGB3ITGA2B
SCHEMBL1713090 0.76 ALOX5 (0.42) ALOX5EPHX2AKR1C3HTR2CITGB3
SCHEMBL7365311 0.76 CHRNB2 (0.57) ALOX5POLB
SCHEMBL20300505 0.76 ALDH1A1 (0.50) ALOX5EPHX2AKR1C3POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF DONG-A-PHARM. CO., LTD. (KR) 2010-04-29 US disclosed
EP-2137152-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Dong-A Pharm.Co., Ltd. (KR) 2009-12-30 EP disclosed
WO-2008114971-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF DONG-A PHARM. CO., LTD. (KR) 2008-09-25 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-20100105727-A1 NOVEL BENZAMIDE DERIVATIVES AND PROCESS FOR THE PREPARTION THEREOF HTR4, HTR1A, TPH1 ALOX5 1005/4885EPHX2 3996/4885AKR1C3 2095/4885

“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.