SCHEMBL4529538

SCHEMBL4529538

NC(=S)NCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ACHE P22303 1/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL4515801 0.98 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL4512998 0.88 HPGD (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL29526410 0.86 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL1606290 0.82 CA12 (0.66) CA12CA1CA2CA9KDM4E
SCHEMBL14500263 0.82 HSD17B10 (0.70) CA12CA1CA2CA9ALDH1A1
SCHEMBL613024 0.78 CA12 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL10310276 0.78 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL17799253 0.78 CA12 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL16450871 0.78 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL5469432 0.78 CA12 (0.59) CA12CA1CA2CA9ALDH1A1

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 5 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

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 3625/4885CA1 4717/4885CA2 3950/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CA12 4047/4885CA1 4521/4885CA2 4024/4885

“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.