SCHEMBL4649538

SCHEMBL4649538

COC(=O)[C@@H](N)Cc1ccc(-c2c(OC)cc(C#N)cc2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
DPP4 P27487 2/20 0.42
ACACB O00763 2/20 0.42
TPH1 P17752 6/20 0.40
GPR142 Q7Z601 1/20 0.39
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
NLRP3 Q96P20 1/20 0.38
ITGB7 P26010 1/20 0.38
ANPEP P15144 1/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.37

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
Hydrochloric Acid SCHEMBL4649536 0.99 ALDH1A1 (0.51) ALDH1A1DPP4ACACBTPH1GPR142
Hydrochloric Acid SCHEMBL4649540 0.99 ALDH1A1 (0.51) ALDH1A1DPP4ACACBTPH1GPR142
SCHEMBL4648020 0.91 TPH1 (0.48) ALDH1A1DPP4ACACBTPH1GPR142
SCHEMBL14586456 0.90 DPP4 (0.44) ALDH1A1DPP4ACACBTPH1GPR142
Hydrochloric Acid SCHEMBL4648024 0.90 TPH1 (0.48) ALDH1A1DPP4ACACBTPH1GPR142
Hydrochloric Acid SCHEMBL4648016 0.90 TPH1 (0.48) ALDH1A1DPP4ACACBTPH1GPR142
SCHEMBL919060 0.84 ALDH1A1 (0.52) ALDH1A1TPH1ITGB1ITGA4ITGB7
SCHEMBL539320 0.83 DPP4 (0.53) ALDH1A1DPP4TPH1GPR142NLRP3
SCHEMBL539319 0.83 DPP4 (0.53) ALDH1A1DPP4TPH1GPR142NLRP3
SCHEMBL539309 0.83 DPP4 (0.53) ALDH1A1DPP4TPH1GPR142NLRP3

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
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM ALDH1A1 2146/4885DPP4 62/4885ACACB 1569/4885

“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.