SCHEMBL3559754

SCHEMBL3559754

Cc1c(C(=O)O)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
DHODH Q02127 2/20 0.40
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
MARS1 P56192 2/20 0.37
CNR1 P21554 1/20 0.36
MAPT P10636 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD11B1 P28845 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
SCHEMBL3549304 0.93 SRD5A2 (0.45) SRD5A2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3553404 0.89 CDC7 (0.45) SRD5A2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3556990 0.87 GABRA2 (0.45) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL3555731 0.81 CDC7 (0.46) SRD5A2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3556612 0.80 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2CDC7
SCHEMBL2159400 0.78 SRD5A2 (0.48) SRD5A2DHODHKDM4ENPC1RAB9A
SCHEMBL5300506 0.77 DPP4 (0.37) HSD11B1
SCHEMBL476369 0.77 SRD5A2 (0.45) SRD5A2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3551834 0.76 DPP4 (0.36) HSD11B1
SCHEMBL21350987 0.76 MCL1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2POLB

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 4 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-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
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

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-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 2122/4885DHODH 3430/4885KDM4E 280/4885

“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.