SCHEMBL4512998

SCHEMBL4512998

NC(=S)NCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
DUSP3 P51452 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL29526410 0.98 CA12 (0.50) HPGDDUSP3CA12CA1CA2
SCHEMBL4529538 0.88 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL4515801 0.86 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL1640547 0.83 HPGD (0.74) HPGDDUSP3CA12CA1CA2
SCHEMBL2804470 0.80 ALDH1A1 (0.48) HPGDDUSP3GAASIGMAR1ALDH1A1
SCHEMBL8594860 0.80 GAA (0.53) CA12CA1CA2CA9GAA
SCHEMBL11054701 0.80 HSD17B10 (0.56) HPGDDUSP3CA12CA1CA2
SCHEMBL2755852 0.78 L3MBTL1 (0.52) CA12CA1CA2CA9GAA
SCHEMBL2804989 0.78 ALDH1A1 (0.52) GAASIGMAR1ALDH1A1HRH3
SCHEMBL16382085 0.78 SIGMAR1 (0.47) GAASIGMAR1ALDH1A1HRH3

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
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB HPGD 957/4885DUSP3 3871/4885CA12 3625/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC HPGD 2130/4885DUSP3 4065/4885CA12 4047/4885

“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.