SCHEMBL17367481

SCHEMBL17367481

CC(=O)c1cc(Br)sc1-c1ccc(-c2ccc(C3(C(C)=O)CC3)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
APP P05067 1/20 0.30
CYP2D6 P10635 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MT-CO1 P00395 1/20 0.30
MT-CO2 P00403 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL17367487 0.91 PRKAB2 (0.35) CYP2C9CYP2C19APPCYP2D6
SCHEMBL17367479 0.84 MAPT (0.36) CYP2C9CYP2C19APPCYP2D6KDM4E
SCHEMBL17367484 0.84 APP (0.35) CYP2C9CYP2C19APPCYP2D6CYP3A4
SCHEMBL17367474 0.78 PTGS1 (0.38) PTGS1PTGS2CYP2C9CYP2C19APP
SCHEMBL17367489 0.75 PRKAB2 (0.40) CYP2C9CYP2C19APPCYP2D6CYP3A4
SCHEMBL17367490 0.75 APP (0.37) CYP2C9CYP2C19APPCYP2D6CYP3A4
SCHEMBL15854181 0.75 OPRM1 (0.44) KDM4E
SCHEMBL17367480 0.74 PRKAB2 (0.32) CYP2C9CYP2C19APPCYP3A4
SCHEMBL15854163 0.72 APP (0.41) CYP2C9CYP2C19APPCYP2D6CYP3A4
SCHEMBL17226296 0.72 APP (0.41) CYP2C9CYP2C19APPCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 US 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 PTGS1 2492/4885PTGS2 3564/4885CYP2C9 2611/4885

“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.