SCHEMBL717800

SCHEMBL717800

CCC(C)OP(=O)(O)Cc1sc2ccccc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CNR2 P34972 7/20 0.36
CNR1 P21554 4/20 0.36
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 2/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL716544 0.86 HRH1 (0.35) CNR2CNR1ALDH1A1KMT2ACYP1A2
SCHEMBL718050 0.86 PTGS2 (0.36) CNR2CNR1ALDH1A1KMT2AMEN1
SCHEMBL717816 0.84 CNR2 (0.34) CNR2CNR1ALDH1A1KMT2ACYP1A2
SCHEMBL718342 0.82 HRH1 (0.35) PTPN1
SCHEMBL717799 0.73 ALDH1A1 (0.37) TAS1R3TAS1R1CNR2CNR1ALDH1A1
SCHEMBL718373 0.72 CNR2 (0.36) TAS1R3TAS1R1CNR2CNR1ALDH1A1
SCHEMBL1407856 0.72 TRPA1 (0.42) KMT2AMEN1CYP1A2TSHR
SCHEMBL916701 0.72 KDM4E (0.36) ALDH1A1LMNAKDM4ETSHR
SCHEMBL718021 0.72 L3MBTL1 (0.38) TAS1R3TAS1R1CNR2CNR1ALDH1A1
SCHEMBL916315 0.70 TSHR (0.49) KMT2AMEN1TSHRMAPK1G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US disclosed
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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 (5 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 TAS1R3 39/4885TAS1R1 22/4885CNR2 31/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 TAS1R3 39/4885TAS1R1 22/4885CNR2 31/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 TAS1R3 39/4885TAS1R1 22/4885CNR2 31/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 TAS1R3 39/4885TAS1R1 22/4885CNR2 31/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 TAS1R3 39/4885TAS1R1 22/4885CNR2 31/4885

“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.