SCHEMBL8238534

SCHEMBL8238534

Cc1nc(-c2ccc(SC(C)(C)C)nc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
RECQL P46063 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
ESR2 Q92731 1/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43
AURKB Q96GD4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8239846 0.80 GAA (0.41) GAARAB9AKDM4EPOLBHTT
SCHEMBL8233283 0.77 ALDH1A1 (0.50) GAARAB9AKDM4EPOLBHTT
SCHEMBL13750507 0.76 RAB9A (0.54) GAARAB9AKDM4EPOLBHTT
SCHEMBL8232462 0.75 RAB9A (0.43) GAARAB9AKDM4EPOLBHTT
SCHEMBL8238958 0.73 HPGD (0.47) GAARAB9AKDM4EPOLBHTT
SCHEMBL8233503 0.73 CYP19A1 (0.47) GAARAB9AKDM4EPOLBHTT
SCHEMBL1244060 0.73 GRM5 (0.60)
SCHEMBL4020047 0.73 RECQL (0.53) GAARAB9AKDM4EPOLBHTT
SCHEMBL11982624 0.73 RAB9A (0.51) GAARAB9AKDM4EPOLBHTT
SCHEMBL13728418 0.71 RAB9A (0.49) GAARAB9AKDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-11-15 US disclosed
US-8242143-B2 Thiazolyl mGluR5 antagonists and methods for their use MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
EP-2380889-A2 Thiazolyl MGLUR5 antagonists and methods for their use Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use MERCK SHARP & DOHME CORP. (US) 2011-09-22 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
WO-2007050050-A2 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE MERCK & CO., INC. (US) 2007-05-03 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-20120289696-A1 THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE GRM5, GRIK5, GRM3 GAA 3718/4885RAB9A 2326/4885KDM4E 1789/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 GAA 3718/4885RAB9A 2326/4885KDM4E 1789/4885
US-20110230526-A1 Thiazolyl Mglur5 Antagonists and Methods for Their Use GRM5, GRIK5, GRM3 GAA 3718/4885RAB9A 2326/4885KDM4E 1789/4885

“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.