SCHEMBL2178314

SCHEMBL2178314

CCC1=C(c2ccccc2)NC(N)S1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
TP53 P04637 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2176185 0.67
SCHEMBL31403404 0.61 ALDH1A1 (0.33) ALDH1A1TAAR1CYP3A4
SCHEMBL15040592 0.61 ALOX5 (0.36) ADORA3ALDH1A1ALOX5CYP3A4CYP2A6
Biphenyl SCHEMBL27882978 0.57 ALDH1A1 (0.60) ALDH1A1MAPTTAAR1TP53CYP3A4
Biphenyl SCHEMBL4840882 0.57 ALDH1A1 (0.60) ALDH1A1MAPTTAAR1TP53CYP3A4
SCHEMBL26880221 0.57 ALDH1A1 (0.36) ADORA3ALDH1A1ALOX5
Biphenyl SCHEMBL323849 0.57 ALDH1A1 (0.69) ALDH1A1MAPTTAAR1TP53CYP3A4
Biphenyl SCHEMBL967556 0.55 ALDH1A1 (0.64) ALDH1A1MAPTTAAR1TP53CYP3A4
SCHEMBL444478 0.55 ALDH1A1 (0.53) ALDH1A1MAPTTAAR1CYP3A4
Biphenyl SCHEMBL8005717 0.54 ALDH1A1 (0.53) ALDH1A1MAPTTAAR1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 (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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 ADORA3 2149/4885ALDH1A1 525/4885MAPT 1274/4885

“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.