SCHEMBL4524922

SCHEMBL4524922

NC(=S)Nc1ccc2c(c1)CCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
PRKCI P41743 1/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
QPCT Q16769 1/20 0.46
CTSL P07711 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
IDH1 O75874 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL788995 0.83 SMN1; SMN2 (0.81) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL16711720 0.80 CA12 (0.56) SMN1; SMN2PRKCICA12CA1CA2
SCHEMBL11724375 0.79 PRKCI (0.51) SMN1; SMN2PRKCICA12CA1CA2
SCHEMBL24477522 0.79 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL2245426 0.79 CYP1A2 (0.69) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL11242394 0.78 CA12 (0.55) SMN1; SMN2PRKCICA12CA1CA2
SCHEMBL379048 0.78 PRKCI (0.50) SMN1; SMN2PRKCICA12CA1CA2
Hydrochloric Acid SCHEMBL31105738 0.77 CA12 (0.50) SMN1; SMN2PRKCICA12CA1CA2
SCHEMBL788729 0.76 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL317647 0.75 PKLR (0.48) SMN1; SMN2PRKCICA12CA1CA2

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 SMN1; SMN2 4287/4885PRKCI 3922/4885CA12 3625/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC SMN1; SMN2 1799/4885PRKCI 3816/4885CA12 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.