SCHEMBL3027600

SCHEMBL3027600

CC(C)S(=O)(=O)c1cc(F)cc([C@]2(OCC3CC3)CC[C@@](C(=O)O)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.36
CYP3A4 P08684 3/20 0.35
APP P05067 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.33
KAT6A Q92794 1/20 0.33
RORC P51449 5/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
OPRL1 P41146 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3027598 1.00 S1PR2 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3027607 1.00 S1PR2 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3020004 0.90 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3020002 0.90 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3020006 0.90 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3007730 0.89 S1PR2 (0.37) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3007992 0.89 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3007997 0.89 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3007993 0.89 CYP3A4 (0.36) S1PR2CYP3A4APPCYP2C9CYP2C19
SCHEMBL3007725 0.87 CYP3A4 (0.35) S1PR2CYP3A4APPCYP2C9CYP2C19

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 5 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
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
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

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 S1PR2 1688/4885CYP3A4 762/4885APP 1592/4885

“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.