SCHEMBL7701579

SCHEMBL7701579

CC(=O)NC(C#N)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
CTSC P53634 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KEAP1 Q14145 1/20 0.39
ALOX12 P18054 4/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL7664906 0.81 GSK3B (0.44) ALOX5ALDH1A1CTSCCES2CES1
SCHEMBL7666709 0.81 ALOX5 (0.38) ALOX5ALDH1A1CTSCCES2CES1
SCHEMBL7723792 0.76 ALDH1A1 (0.52) ALOX5ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8799895 0.75 RAB9A (0.46) ALDH1A1NPC1L3MBTL1RAB9AMEN1
SCHEMBL10585741 0.74 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C19GFERL3MBTL1
SCHEMBL10593276 0.74 ALDH1A1 (0.54) ALDH1A1CYP2C19RAB9ATSHRMEN1
SCHEMBL14378273 0.73 ALOX5 (0.35) ALOX5ALDH1A1CTSCCES2CES1
SCHEMBL10703343 0.73 CTSV (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL10654251 0.73 CTSL (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GAA
SCHEMBL11448104 0.73 ALOX5 (0.47) ALOX5ALDH1A1CYP2C9CYP2C19CTSC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010340-A1 Process for preparation of 2-aminothiazolecarboxamide derivatives LG CHEMICAL LTD. 2002-01-24 US disclosed
EP-1045848-B1 PROCESS FOR PREPARATION OF 2-AMINOTHIAZOLECARBOXAMIDE DERIVATIVES LG CHEMICAL LTD (KR) 2001-12-05 EP 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 (1 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-20020010340-A1 Process for preparation of 2-aminothiazolecarboxamide derivatives CBR1, CBR3, CYP1B1 ALOX5 126/4885ALDH1A1 220/4885CYP3A4 71/4885

“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.