SCHEMBL3499647

SCHEMBL3499647

O=C(N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 8/20 0.54
PTPN1 P18031 2/20 0.49
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGB1 P05556 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA5 P08648 2/20 0.44
GPR132 Q9UNW8 2/20 0.43
PTPN2 P17706 1/20 0.43
CDC25B P30305 1/20 0.43
CDK2 P24941 1/20 0.42
KIFC1 Q9BW19 1/20 0.41
FFAR1 O14842 1/20 0.41
ERAP1 Q9NZ08 2/20 0.41

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
SCHEMBL3499645 1.00 GPR34 (0.54) GPR34PTPN1MMEACECPA1
SCHEMBL3498320 0.96 GPR34 (0.58) GPR34PTPN1GPR132PTPN2CDC25B
SCHEMBL3498322 0.96 GPR34 (0.58) GPR34PTPN1GPR132PTPN2CDC25B
SCHEMBL3497834 0.94 GPR34 (0.62) GPR34PTPN1GPR132PTPN2CDC25B
SCHEMBL3498605 0.94 GPR34 (0.62) GPR34PTPN1GPR132PTPN2CDC25B
SCHEMBL3499677 0.92 GPR34 (0.55) GPR34PTPN1ITGB3ITGB1ITGAV
SCHEMBL3499675 0.92 GPR34 (0.55) GPR34PTPN1ITGB3ITGB1ITGAV
SCHEMBL3501133 0.92 CDK2 (0.49) GPR34PTPN1CDK2FFAR1
SCHEMBL3501132 0.92 CDK2 (0.49) GPR34PTPN1CDK2FFAR1
SCHEMBL3498858 0.92 GPR34 (0.54) GPR34PTPN1MMEACECPA1

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 GPR34 1/4885PTPN1 3494/4885MME 4127/4885

“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.