SCHEMBL2682102

SCHEMBL2682102

NC(=O)C1(N2CCC(F)(F)CC2)CCN(C(=O)c2sc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2OCCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.50
CNR2 P34972 2/20 0.34
CYP2C19 P33261 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16174788 0.98 CNR1 (0.50) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL2682380 0.97 CNR1 (0.51) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL2683113 0.93 CNR1 (0.45) CNR1CNR2ALDH1A1
SCHEMBL2680937 0.91 CNR1 (0.54) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL2682366 0.89 CNR1 (0.46) CNR1CNR2CYP2C19
SCHEMBL2682851 0.83 CNR1 (0.46) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL476367 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL2159825 0.82 CNR1 (0.49) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL476512 0.82 CYP2C19 (0.43) CNR1CNR2CYP2C19USP2LMNA
SCHEMBL2683638 0.82 CNR1 (0.55) CNR1CNR2CYP2C19USP2LMNA

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-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP claimed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US claimed
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-8486971-B2 Derivatives of 3-alkoxy-4,5-diarylthiophene-2-carboxamide, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-07-16 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
US-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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-20120115906-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, HCRTR1, NR3C1 CNR1 4/4885CNR2 19/4885CYP2C19 904/4885

“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.