SCHEMBL2669781

SCHEMBL2669781

COC(=O)Cc1cc(SC)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 2/20 0.37
EGFR P00533 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13799646 0.79 BCHE (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11826578 0.79 HSP90AB1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL22445351 0.78 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18758403 0.74 BCHE (0.35) MAPT
SCHEMBL18758366 0.72 MAPK1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12374287 0.72 HPGD (0.37) HPGDGAA
SCHEMBL23701884 0.71 PGK1 (0.38)
SCHEMBL18758466 0.71 BCHE (0.32)
SCHEMBL21877006 0.70 KDM4E (0.37) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL23410551 0.70 HDAC6 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266983-B1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2013-06-05 EP disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-8349886-B2 Nitrogenated 5-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-08 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
US-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-04 US disclosed
EP-2266983-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-29 EP disclosed
WO-2009128481-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-22 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-20110190335-A1 NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 MAPT 4163/4885MEN1 2524/4885KMT2A 1052/4885

“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.