SCHEMBL3550385

SCHEMBL3550385

CC(=O)C(=C(Cl)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL3550383 1.00 SRD5A2 (0.51) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL3552163 0.91 SRD5A2 (0.47) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL3552164 0.91 SRD5A2 (0.47) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL2846423 0.73 SRD5A2 (0.50) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL2846425 0.73 SRD5A2 (0.50) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL9496067 0.73 SRD5A2 (0.79) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL9590622 0.73 MEN1 (0.55) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL3133251 0.73 SMN1; SMN2 (0.61) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL322161 0.73 TSHR (0.65) SRD5A2SMN1; SMN2TSHRCASP1MAPT
SCHEMBL29384783 0.73 TSHR (0.65) SRD5A2SMN1; SMN2TSHRCASP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674821-B2 N-[(4,5-diphenyl-3-alkyl-2-thienyl)methyl]amine [amide, sulfonamide, carbamate and urea) derivatives as cannabinoid CB1 receptor antagonists SANOFI-AVENTIS (FR) 2010-03-09 US disclosed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-11-22 US disclosed
EP-1833812-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL]AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-09-19 EP disclosed
US-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-11-23 US disclosed
EP-1678159-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-07-12 EP disclosed
WO-2006070106-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-07-06 WO disclosed
WO-2005035488-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-04-21 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 (2 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-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof CNR1, CNR2, TPMT SRD5A2 2053/4885SMN1; SMN2 1085/4885TSHR 28/4885
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, UTS2R SRD5A2 2122/4885SMN1; SMN2 3535/4885TSHR 106/4885

“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.