SCHEMBL3497044

SCHEMBL3497044

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.53
GPR34 Q9UPC5 3/20 0.47
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.41
SMPD1 P17405 1/20 0.41
YAP1 P46937 2/20 0.40
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PYGL P06737 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
SCHEMBL3497042 1.00 CDK2 (0.53) CDK2GPR34PTPN1PPARGSMPD1
SCHEMBL3500203 0.97 CDK2 (0.50) CDK2GPR34PTPN1PPARGSMPD1
SCHEMBL3497026 0.97 GPR34 (0.53) CDK2GPR34PTPN1PPARGYAP1
SCHEMBL3499627 0.97 CDK2 (0.50) CDK2GPR34PTPN1PPARGSMPD1
SCHEMBL3500205 0.97 CDK2 (0.50) CDK2GPR34PTPN1PPARGSMPD1
SCHEMBL3499625 0.97 CDK2 (0.50) CDK2GPR34PTPN1PPARGSMPD1
SCHEMBL3497029 0.97 GPR34 (0.53) CDK2GPR34PTPN1PPARGYAP1
SCHEMBL3501132 0.96 CDK2 (0.49) CDK2GPR34PTPN1YAP1
SCHEMBL3501133 0.96 CDK2 (0.49) CDK2GPR34PTPN1YAP1
SCHEMBL3499397 0.95 CDK2 (0.48) CDK2GPR34PTPN1PPARGSMPD1

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 1/4885PTPN1 3494/4885

“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.