SCHEMBL4521783

SCHEMBL4521783

COC(=O)CCCNC(N)=S

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
EPHX2 P34913 4/20 0.46
CA12 O43570 4/20 0.44
CA14 Q9ULX7 3/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA5B Q9Y2D0 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
SCHEMBL381238 0.92 EPHX2 (0.50) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL4520317 0.88 CA12 (0.52) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL15044413 0.83 TSHR (0.58) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL14709345 0.83 CYP1A2 (0.53) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL4103840 0.80 TSHR (0.54) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL7365611 0.78 TSHR (0.52) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL6632846 0.78 PRMT1 (0.35) TSHREPHX2ALDH1A1LMNA
SCHEMBL19934140 0.78 MEN1 (0.64) TSHREPHX2CA12CA14ALDH1A1
SCHEMBL407248 0.77 TSHR (0.61) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3280998 0.77 PRMT1 (0.50) TSHREPHX2LMNACA1CA2

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 10 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-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 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
WO-2000034255-A9 SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN ONTOGEN CORP (US) 2001-10-04 WO disclosed
WO-2000034255-A1 SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN ONTOGEN CORPORATION (US) 2000-06-15 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 TSHR 411/4885EPHX2 4191/4885CA12 3625/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC TSHR 697/4885EPHX2 4034/4885CA12 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.