SCHEMBL4530594

SCHEMBL4530594

NC(=S)NCC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.68
AOC3 Q16853 3/20 0.60
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.51
ASAH1 Q13510 1/20 0.46
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5529686 0.84 KDM1A (0.53) BCAT2AOC3KDM4EL3MBTL1TAAR1
SCHEMBL14769096 0.81 BCAT2 (0.68) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL3507313 0.81 BCAT2 (1.00) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL3921879 0.81 BCAT2 (0.68) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL1605547 0.79 AOC3 (0.58) BCAT2AOC3NPC1RAB9ATAAR1
SCHEMBL1605295 0.79 AOC3 (0.58) BCAT2AOC3NPC1RAB9ATAAR1
SCHEMBL27924275 0.77 BCAT2 (0.49) BCAT2NPC1RAB9ASMN1; SMN2CYP2D6
SCHEMBL11209835 0.77 ALDH1A1 (0.65) BCAT2KDM4EL3MBTL1NPC1RAB9A
SCHEMBL1520684 0.76 BCAT2 (0.72) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL26906281 0.76 BCAT2 (0.72) BCAT2AOC3KDM4EL3MBTL1NPC1

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 BCAT2 2432/4885AOC3 2318/4885KDM4E 4820/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC BCAT2 1876/4885AOC3 1760/4885KDM4E 4801/4885

“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.