SCHEMBL20187649

SCHEMBL20187649

CS(=O)(=O)OCCc1ccc2ccc(C#N)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.40
TRPA1 O75762 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 2/20 0.37
HTR3A P46098 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
F10 P00742 2/20 0.34
CDK1 P06493 1/20 0.34
CYP2A6 P11509 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1640405 0.85 HRH3 (0.59) HRH3
SCHEMBL2961510 0.84 CYP2A6 (0.46) KCNH2CYP2A6CYP19A1
SCHEMBL17784702 0.81 GLA (0.49) KCNH2CYP19A1
SCHEMBL1713703 0.79 CYP1A2 (0.47) HRH3PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL1641361 0.77 HRH3 (0.44) HRH3CDK1
SCHEMBL10451442 0.75 PTGS2 (0.50) PTGS2SLC6A2SLC6A3CYP19A1
SCHEMBL7417122 0.75 TSHR (0.47) KCNH2CYP2A6CYP19A1
SCHEMBL6067766 0.75 HRH3 (0.41) HRH3CDK1
SCHEMBL2962876 0.74 TSHR (0.50) KCNH2CYP2A6CYP19A1
SCHEMBL286670 0.73 DAO (0.46) KCNH2TRPV4

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
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
EP-3544979-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-02 EP disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 HRH3 531/4885TRPA1 1/4885PTGS2 219/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 HRH3 531/4885TRPA1 1/4885PTGS2 219/4885

“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.