SCHEMBL1474951

SCHEMBL1474951

COC(=O)c1cc(C(C)(C)C)ccc1C1CC1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FKBP1A P62942 2/20 0.36
LMNA P02545 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1474361 0.84 ALDH1A1 (0.40) CPB1ALDH1A1TSHRCA1CA2
SCHEMBL1474158 0.82 SLC6A2 (0.38) ALDH1A1POLBTSHRCA2LMNA
SCHEMBL1474218 0.79 DRD2 (0.39) ALDH1A1POLBMRGPRX4HPGD
SCHEMBL17947657 0.71 CPB1 (0.61) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL28101021 0.70 FABP7 (0.55) ALDH1A1TSHRKMT2A
SCHEMBL1838935 0.70 ALDH1A1 (0.55) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL1838938 0.70 ALDH1A1 (0.55) CPB1ALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL29793454 0.69 TSHR (0.41) ALDH1A1POLBTSHRCA1CA2
SCHEMBL5294802 0.69 MEN1 (0.42) ALDH1A1CYP2C19POLBTSHRCA1
SCHEMBL5287446 0.69 MEN1 (0.40) ALDH1A1CYP2C19CYP1A2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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 (2 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 CPB1 2888/4885ALDH1A1 1314/4885CYP2C9 1116/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 CPB1 2890/4885ALDH1A1 1339/4885CYP2C9 1150/4885

“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.