SCHEMBL1980396

SCHEMBL1980396

CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTR1D P28221 5/20 0.38
HTR1A P08908 4/20 0.38
HTR1B P28222 4/20 0.38
CXCR2 P25025 2/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CHRM1 P11229 1/20 0.36
DRD4 P21917 1/20 0.36
CXCR1 P25024 1/20 0.36
EPAS1 Q99814 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL22444632 0.87 MRGPRX4 (0.45) HSD11B1CA1CA2HTR1DHTR1A
SCHEMBL1473538 0.82 ALDH1A1 (0.44) ALDH1A1HSD11B1CA1CA2HTR1D
SCHEMBL30874866 0.82 ALDH1A1 (0.44) ALDH1A1HSD11B1CA1CA2HTR1D
SCHEMBL9470326 0.79 ALDH1A1 (0.47) ALDH1A1HSD11B1CA1CA2HTR1D
SCHEMBL2910645 0.78 SOS1 (0.51) HSD11B1CA1CA2HTR1DHTR1A
SCHEMBL6139731 0.77 EPAS1 (0.46) HSD11B1CA1CA2HTR1DHTR1A
SCHEMBL24987677 0.76 CXCR2 (0.42) HSD11B1CA1CA2HTR1DHTR1A
SCHEMBL15496972 0.76 GPR3 (0.42) MRGPRX4
SCHEMBL29324776 0.76 PDE2A (0.34) ALDH1A1HSD11B1MRGPRX4
SCHEMBL17352130 0.75 ALDH1A1 (0.47) ALDH1A1CA1CA2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO 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-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 ALDH1A1 956/4885HSD11B1 1640/4885CA1 3557/4885

“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.