SCHEMBL4515437

SCHEMBL4515437

NC(=S)Nc1cccc(CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.57
SELP P16109 2/20 0.57
SELE P16581 2/20 0.57
NR1H4 Q96RI1 3/20 0.55
SELL P14151 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TP53 P04637 1/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 1/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
ENPP2 Q13822 1/20 0.50
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL11601488 0.87 SELP (0.60) HPSESELPSELENR1H4SELL
SCHEMBL25269919 0.83 ALDH1A1 (0.58) KMT2AALDH1A1CYP1A2LMNAGAA
SCHEMBL30488135 0.83 ALDH1A1 (0.58) KMT2AALDH1A1CYP1A2LMNAGAA
SCHEMBL11630778 0.81 NR1H4 (0.56) HPSESELPSELENR1H4SELL
SCHEMBL11359247 0.81 SELP (0.65) HPSESELPSELENR1H4SELL
SCHEMBL27477068 0.80 KMT2A (0.49) KMT2AALDH1A1TP53TYRTSHR
SCHEMBL6136003 0.80 HPSE (0.78) HPSESELPSELENR1H4SELL
SCHEMBL3427115 0.80 ALDH1A1 (0.60) KMT2AALDH1A1TP53TYRTSHR
SCHEMBL30557308 0.80 HPSE (0.78) HPSESELPSELENR1H4SELL
SCHEMBL3976944 0.80 NR1H4 (0.61) HPSESELPSELENR1H4SELL

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 HPSE 4734/4885SELP 35/4885SELE 139/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC HPSE 3971/4885SELP 40/4885SELE 161/4885

“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.