SCHEMBL2850192

SCHEMBL2850192

OCc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
SRD5A2 P31213 1/20 0.41
NOTUM Q6P988 2/20 0.40
AHR P35869 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HSD11B1 P28845 1/20 0.38
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
MGAM O43451 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MARS1 P56192 1/20 0.36

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
SCHEMBL2847142 0.88 AHR (0.40) ESR1SRD5A2AHRCNR1CNR2
SCHEMBL5263967 0.86 DPP4 (0.43) ESR1SRD5A2AHRHSD11B1KDM4E
Hydrochloric Acid SCHEMBL2840745 0.85 DPP4 (0.42) ESR1SRD5A2AHRHSD11B1KDM4E
SCHEMBL2847010 0.79 GCG (0.47) SRD5A2CNR1CNR2KDM4ERAB9A
SCHEMBL5272552 0.79 ESR1 (0.37) ESR1SRD5A2AHRKDM4ERAB9A
Hydrochloric Acid SCHEMBL2845718 0.77 ESR1 (0.36) ESR1SRD5A2AHRKDM4ERAB9A
SCHEMBL5102528 0.76 SRD5A2 (0.52) ESR1SRD5A2NOTUMCNR1CNR2
SCHEMBL5229886 0.76 DPP4 (0.50) CNR1CNR2KDM4ERAB9AALDH1A1
SCHEMBL5276319 0.75 DPP4 (0.44) AHRHSD11B1KDM4ERAB9AMGAM
SCHEMBL14000266 0.75 MAPK14 (0.48) ESR1SRD5A2CNR1CNR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7589120-B2 N-[(4,5-diphenyl-2-thienyl)methyl]sulfonamide derivatives, preparation thereof and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-15 US disclosed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US disclosed
US-20070287744-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2007-12-13 US disclosed
EP-1858872-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-11-28 EP disclosed
EP-1841754-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2007-10-10 EP disclosed
WO-2006084975-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-08-17 WO disclosed
WO-2006077320-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-07-27 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 (3 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-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 ESR1 495/4885SRD5A2 2063/4885NOTUM 1437/4885
US-20070287744-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION TPMT, TXNRD2, ARG2 ESR1 1528/4885SRD5A2 254/4885NOTUM 4384/4885
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 ESR1 495/4885SRD5A2 2063/4885NOTUM 1437/4885

“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.