SCHEMBL3500044

SCHEMBL3500044

COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2c(-c3ccc(Cl)cc3)cccc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 3/20 0.49
CDK2 P24941 6/20 0.47
PPARG P37231 1/20 0.47
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
PTPN1 P18031 1/20 0.45
LTA4H P09960 1/20 0.44
YAP1 P46937 4/20 0.43
PYGL P06737 1/20 0.43
ERAP2 Q6P179 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3500047 1.00 GPR34 (0.49) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3498207 0.93 GPR34 (0.58) GPR34PPARGPTPN1
SCHEMBL3498203 0.93 GPR34 (0.58) GPR34PPARGPTPN1
SCHEMBL3498672 0.88 GPR34 (0.48) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3498671 0.88 GPR34 (0.48) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3497393 0.85 GPR34 (0.55) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3497391 0.85 GPR34 (0.55) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3499955 0.85 GPR34 (0.49) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3499956 0.85 GPR34 (0.49) GPR34CDK2PPARGRAB9AGAA
SCHEMBL3498155 0.84 GPR34 (0.49) GPR34CDK2PPARGRAB9AGAA

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 1/4885CDK2 2075/4885PPARG 189/4885

“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.