SCHEMBL9998916

SCHEMBL9998916

CC(C)(C)OC(=O)NC[C@@H](O)Cc1cnc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
TRPA1 O75762 1/20 0.37
IDO1 P14902 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
SYK P43405 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SERPINE1 P05121 1/20 0.36
KMT2A Q03164 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CTSL P07711 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL9998914 1.00 STK17B (0.41) STK17BSTK17ATRPA1IDO1POLB
SCHEMBL9999462 1.00 STK17B (0.41) STK17BSTK17ATRPA1IDO1POLB
SCHEMBL12074591 0.78 STK17B (0.53) STK17BSTK17AIDO1GAAKMT2A
SCHEMBL10188447 0.74 ATM (0.56) IDO1ATMSYKCTSL
SCHEMBL21232576 0.73 CACNA1H (0.39) STK17BSTK17APOLBSYKL3MBTL1
SCHEMBL7836979 0.73 CTSS (0.54) ATMGAASYKSERPINE1OPRM1
SCHEMBL6503401 0.73 CTSS (0.41) IDO1GAACTSLLMNA
SCHEMBL6503403 0.73 CTSS (0.41) IDO1GAACTSLLMNA
SCHEMBL31431398 0.73 MAPKAPK2 (0.47) STK17BSTK17AGAAL3MBTL1TSHR
SCHEMBL12302707 0.72 MTNR1A (0.37) STK17BSTK17AMAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 STK17B 2113/4885STK17A 1658/4885TRPA1 2/4885

“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.