SCHEMBL4239318

SCHEMBL4239318

Cc1cn(-c2ccc3sccc3c2)c(=NC(=O)N2CC[C@@H](F)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.38
CYP17A1 P05093 1/20 0.33
CHRNA7 P36544 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
NAMPT P43490 4/20 0.31
HTR3A P46098 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
OGA O60502 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4239316 1.00 LPAR5 (0.38) LPAR5CYP17A1CHRNA7OPRM1OPRK1
SCHEMBL2862947 0.87 LPAR5 (0.35) LPAR5CYP17A1CHRNA7OPRM1OPRK1
SCHEMBL2862942 0.87 LPAR5 (0.35) LPAR5CYP17A1CHRNA7OPRM1OPRK1
SCHEMBL2839122 0.86 LPAR5 (0.47) LPAR5CYP17A1CHRNA7OPRM1OPRK1
SCHEMBL2839118 0.86 LPAR5 (0.47) LPAR5CYP17A1CHRNA7OPRM1OPRK1
SCHEMBL2869459 0.86 CYP17A1 (0.35) LPAR5CYP17A1NPC1RAB9AATM
SCHEMBL2869461 0.86 CYP17A1 (0.35) LPAR5CYP17A1NPC1RAB9AATM
SCHEMBL2867990 0.85 RAB9A (0.36) NPC1RAB9ADPP4DPP7
SCHEMBL2867987 0.85 RAB9A (0.36) NPC1RAB9ADPP4DPP7
SCHEMBL4235120 0.84 NOTUM (0.37) NPC1RAB9ADPP4DPP7

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
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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 (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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM LPAR5 905/4885CYP17A1 4881/4885CHRNA7 13/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 LPAR5 131/4885CYP17A1 2390/4885CHRNA7 5/4885

“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.