SCHEMBL3499501

SCHEMBL3499501

O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.57
ERAP1 Q9NZ08 2/20 0.46
DGAT1 O75907 4/20 0.44
ACE P12821 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
GPR34 Q9UPC5 2/20 0.43

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
SCHEMBL3499499 1.00 EGLN1 (0.57) EGLN1ERAP1DGAT1ACEITGB1
SCHEMBL5273554 0.92 GPR34 (0.56) EGLN1DGAT1ACEGPR34
SCHEMBL5273551 0.92 GPR34 (0.56) EGLN1DGAT1ACEGPR34
SCHEMBL3499520 0.90 EGLN1 (0.52) EGLN1DGAT1
SCHEMBL3499523 0.90 EGLN1 (0.52) EGLN1DGAT1
SCHEMBL3498817 0.85 EGLN1 (0.52) EGLN1ERAP1ITGB1ITGA4GPR34
SCHEMBL3498816 0.85 EGLN1 (0.52) EGLN1ERAP1ITGB1ITGA4GPR34
SCHEMBL5269785 0.85 GPR34 (0.56) EGLN1ERAP1ITGB1GPR34
SCHEMBL5269782 0.85 GPR34 (0.56) EGLN1ERAP1ITGB1GPR34
SCHEMBL3498179 0.85 GPR34 (0.65) EGLN1ACEGPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 EGLN1 1231/4885ERAP1 3364/4885DGAT1 937/4885

“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.