SCHEMBL3501133

SCHEMBL3501133

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.49
GPR34 Q9UPC5 6/20 0.44
NOS2 P35228 1/20 0.43
YAP1 P46937 1/20 0.42
FFAR1 O14842 1/20 0.40
PTPN1 P18031 1/20 0.40
SCN9A Q15858 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL3501132 1.00 CDK2 (0.49) CDK2GPR34NOS2YAP1FFAR1
SCHEMBL3497044 0.96 CDK2 (0.53) CDK2GPR34YAP1PTPN1
SCHEMBL3497042 0.96 CDK2 (0.53) CDK2GPR34YAP1PTPN1
SCHEMBL3499627 0.93 CDK2 (0.50) CDK2GPR34YAP1FFAR1PTPN1
SCHEMBL3499625 0.93 CDK2 (0.50) CDK2GPR34YAP1FFAR1PTPN1
SCHEMBL3497026 0.93 GPR34 (0.53) CDK2GPR34YAP1PTPN1
SCHEMBL3500205 0.93 CDK2 (0.50) CDK2GPR34YAP1FFAR1PTPN1
SCHEMBL3497029 0.93 GPR34 (0.53) CDK2GPR34YAP1PTPN1
SCHEMBL3500203 0.93 CDK2 (0.50) CDK2GPR34YAP1FFAR1PTPN1
SCHEMBL3497265 0.93 CDK2 (0.47) CDK2GPR34YAP1

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 CDK2 2075/4885GPR34 1/4885NOS2 3758/4885

“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.