SCHEMBL3885828

SCHEMBL3885828

C[C@H](NS(C)(=O)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.57
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MOGAT2 Q3SYC2 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
SCHEMBL182775 1.00 CNR2 (0.57) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10080089 1.00 CNR2 (0.57) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7955002 0.84 CA12 (0.57) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6333241 0.81 ALDH1A1 (0.51) CNR2ALDH1A1POLBCA12CA7
SCHEMBL1938001 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL5682335 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL7568229 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9184442 0.81 ALDH1A1 (0.51) CNR2ALDH1A1POLBCA12CA7
SCHEMBL10312259 0.81 CNR2 (0.51) CNR2ALDH1A1
SCHEMBL5682340 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709018-B1 ACYLAMINOTHIAZOLE DERIVATIVES AND USE THEREOF AS BETA-AMYLOID INHIBITORS SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 US disclosed
US-7825151-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7825151-B2 Hexahydro-cyclooctyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-7759377-B2 Acylaminothiazole derivatives and use thereof as beta-amyloid inhibitors SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-7759377-B2 Acylaminothiazole derivatives and use thereof as beta-amyloid inhibitors SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
US-7371770-B2 Acylaminothiazole derivatives and use thereof as β-amyloid inhibitors SANOFIAVENTIS (FR) 2008-05-13 US disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-27 US disclosed
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-24 US disclosed
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-24 US disclosed
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-24 US disclosed
US-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-05 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 (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-20060223798-A1 Tetrahydrothiopyrano pyrazole cannabinoid modulators CNR1, CNR2, GPR18 CNR2 2/4885ALDH1A1 1724/4885KDM4E 2507/4885
US-20100317633-A1 HEXAHYDRO-CYCLOOCTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, FAAH CNR2 2/4885ALDH1A1 2936/4885KDM4E 2159/4885
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 CNR2 2/4885ALDH1A1 1724/4885KDM4E 2507/4885
US-20080076814-A1 Hexahydro-Cyclooctyl Pyrazole Cannabinoid Modulators CNR1, CNR2, FAAH CNR2 2/4885ALDH1A1 2936/4885KDM4E 2159/4885
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 CNR2 2/4885ALDH1A1 2200/4885KDM4E 1165/4885

“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.