SCHEMBL2682017

SCHEMBL2682017

NC(=O)C1(NCc2ccc(F)cc2)CCN(C(=O)c2sc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2OCCCNC(=O)CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.42
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 2/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
KIT P10721 2/20 0.32
F10 P00742 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
SCHEMBL2681558 0.98 CNR1 (0.42) CNR1CNR2SMN1; SMN2HTR1ATP53
SCHEMBL476263 0.93 CNR1 (0.44) CNR1CNR2SMN1; SMN2HTR1ATP53
SCHEMBL476384 0.92 CNR1 (0.45) CNR1CNR2TP53MDM2KIT
SCHEMBL476350 0.92 CNR1 (0.46) CNR1CNR2TP53MDM2KIT
SCHEMBL2682774 0.92 CNR1 (0.38) CNR1CNR2HTR1ATP53MDM2
SCHEMBL2681835 0.92 CNR1 (0.39) CNR1CNR2TP53MDM2
SCHEMBL2683112 0.92 CNR1 (0.44) CNR1CNR2TP53MDM2KIT
SCHEMBL476428 0.91 CNR1 (0.44) CNR1CNR2HTR1ATP53MDM2
SCHEMBL6014240 0.91 CNR1 (0.45) CNR1CNR2TP53MDM2KIT
SCHEMBL7906059 0.88 CNR1 (0.35) CNR1SMN1; SMN2HTR1A

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 10 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

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 19/4885SMN1; SMN2 2010/4885

“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.