SCHEMBL4525950

SCHEMBL4525950

CCOC(=O)c1nc(NC(C)=O)sc1C(=O)CBr

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
HPGD P15428 1/20 0.63
CYP1A2 P05177 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
STAT1 P42224 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41

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
SCHEMBL10667009 0.86 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL4522970 0.86 ALDH1A1 (0.69) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL6887350 0.81 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL10669159 0.79 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2GAASMN1; SMN2
SCHEMBL1062484 0.79 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL10668470 0.78 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2MEN1KMT2A
Bromide SCHEMBL6113912 0.77 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL3919673 0.76 ALDH1A1 (0.76) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL10669412 0.75 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2MEN1KMT2A
SCHEMBL10671210 0.73 GAA (0.56) ALDH1A1HPGDCYP1A2MEN1KMT2A

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 15 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-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 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-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 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
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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 ALDH1A1 234/4885HPGD 957/4885CYP1A2 2522/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885HPGD 2130/4885CYP1A2 2078/4885

“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.