SCHEMBL4183608

SCHEMBL4183608

CS(=O)(=O)c1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA12 O43570 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
MAPT P10636 1/20 0.55
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
PTGS2 P35354 3/20 0.49
USP28 Q96RU2 2/20 0.47
LOX P28300 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46

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
Hydrochloric Acid SCHEMBL4199854 0.98 CA1 (0.59) PSIP1HRH3CA1CA2CA9
SCHEMBL201356 0.94 PSIP1 (0.65) PSIP1HRH3CA1CA2CA9
Hydrochloric Acid SCHEMBL353075 0.91 CA2 (0.65) PSIP1HRH3CA1CA2CA9
SCHEMBL3727020 0.86 ADAMTS4 (0.55) PSIP1CA1CA2CA9CA12
SCHEMBL2680954 0.84 PSIP1 (0.55) PSIP1CA1CA2CA9CA12
SCHEMBL28332047 0.83 PTGS2 (0.54) PSIP1CA1CA2CA9CA12
SCHEMBL2680953 0.82 PSIP1 (0.53) PSIP1CA1CA2CA9CA12
SCHEMBL28476756 0.82 ST14 (0.57) PSIP1CA1CA2CA9CA12
SCHEMBL10300269 0.82 PTGS2 (0.62) CA2CA9CA12PTGS2ENPP2
SCHEMBL7677302 0.82 PTGS2 (0.62) CA2CA9CA12PTGS2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-2900633-A1 ALPHA HYDROXY AMIDES Merck Patent GmbH (DE) 2015-08-05 EP disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
EP-1987004-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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 (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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 PSIP1 1327/4885HRH3 67/4885CA1 1243/4885
US-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 PSIP1 4641/4885HRH3 32/4885CA1 2480/4885

“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.