SCHEMBL4526441

SCHEMBL4526441

CC(=O)Nc1nc(C(F)(F)F)c(C(C)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIK3CG P48736 1/20 0.41
ADORA1 P30542 1/20 0.41
LCK P06239 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
SCHEMBL4524417 0.83 ALDH1A1 (0.43) DYRK1AALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL24074125 0.80 DYRK1A (0.47) DYRK1AALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL25865060 0.78 DYRK1A (0.45) DYRK1AALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18964665 0.78 DYRK1A (0.45) DYRK1AALDH1A1HPGDMAPTPIK3CG
SCHEMBL2835357 0.75 RXFP1 (0.70) ALDH1A1HPGDRXFP1GAACYP1A2
SCHEMBL14269337 0.75 MAPT (0.56) ALDH1A1RXFP1GAACYP1A2CYP2C9
SCHEMBL18113849 0.75 GAA (0.43) ALDH1A1RXFP1GAASMN1; SMN2MEN1
SCHEMBL25063450 0.75 KMT2A (0.47) DYRK1AMEN1RAB9AKMT2AMAPT
SCHEMBL4526608 0.74 ALDH1A1 (0.44) ALDH1A1HPGDGAACYP1A2SMN1; SMN2
SCHEMBL27459154 0.74 ALDH1A1 (0.47) DYRK1AALDH1A1HPGDRXFP1GAA

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 DYRK1A 4184/4885ALDH1A1 234/4885HPGD 957/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC DYRK1A 4179/4885ALDH1A1 174/4885HPGD 2130/4885

“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.