SCHEMBL4520317

SCHEMBL4520317

COC(=O)CCNC(N)=S

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA14 Q9ULX7 5/20 0.52
TSHR P16473 4/20 0.50
EPHX2 P34913 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA2 P00918 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4521783 0.88 TSHR (0.54) CA12CA14TSHREPHX2LMNA
SCHEMBL381238 0.84 EPHX2 (0.50) CA12CA14TSHREPHX2LMNA
SCHEMBL10057015 0.82 TSHR (0.55) CA12CA14TSHREPHX2LMNA
SCHEMBL3453208 0.80 MLYCD (0.39) CA12CA14EPHX2KDM4ECA9
SCHEMBL4103385 0.78 TSHR (0.50) CA12CA14TSHREPHX2LMNA
SCHEMBL27687085 0.77
SCHEMBL1709284 0.76 MEN1 (0.56) CA12CA14TSHREPHX2CA7
SCHEMBL26528206 0.75 TSHR (0.46) CA12CA14TSHREPHX2LMNA
SCHEMBL17234577 0.75 TSHR (0.46) CA12CA14TSHREPHX2LMNA
SCHEMBL9683695 0.75 TSHR (0.57) CA12CA14TSHREPHX2LMNA

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 9 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
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN 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
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN 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 CA12 3625/4885CA14 2325/4885TSHR 411/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CA12 4047/4885CA14 2692/4885TSHR 697/4885

“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.