SCHEMBL3014101

SCHEMBL3014101

COC1(c2ccc(SC)cc2)CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KMT2A Q03164 4/20 0.38
TET3 O43151 2/20 0.38
FBXL19 Q6PCT2 2/20 0.38
CXXC5 Q7LFL8 2/20 0.38
TET1 Q8NFU7 2/20 0.38
KDM2B Q8NHM5 2/20 0.38
CXXC4 Q9H2H0 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
SCD5 Q86SK9 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4126160 0.84 AKR1C1 (0.50) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL3022143 0.83 AKR1C1 (0.50) AKR1C1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3025832 0.82 AKR1C1 (0.51) AKR1C1OPRM1OPRK1OPRL1KMT2A
SCHEMBL3025529 0.80 CYP2C19 (0.47) AKR1C1OPRM1OPRD1OPRK1OPRL1
SCHEMBL21964252 0.77 AKR1C1 (0.43) AKR1C1KMT2ACYP2C19MEN1TSHR
SCHEMBL3017942 0.76 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3007679 0.75 AKR1C1 (0.44) AKR1C1OPRM1OPRL1KMT2ATET3
SCHEMBL13876257 0.73 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1SCD5
SCHEMBL31016196 0.73 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL6391 0.73 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 AKR1C1 338/4885OPRM1 1255/4885OPRD1 542/4885

“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.