SCHEMBL2398682

SCHEMBL2398682

O=C(O)C(S)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 13/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL27835941 0.82 ALDH1A1 (0.38) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL27423951 0.76 GRIK1 (0.40) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL1582982 0.76 GRIK1 (0.40) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL909602 0.76 ALDH1A1 (0.44) CTSAALDH1A1NPC1RAB9A
SCHEMBL11083464 0.76 GRIK1 (0.40) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL27787271 0.76 ALDH1A1 (0.40) CTSAALDH1A1NPC1RAB9AADAM17
Hydrochloric Acid SCHEMBL11087078 0.74 GRIK1 (0.40) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL22313545 0.73
SCHEMBL28281362 0.73 GAA (0.46) CTSAALDH1A1NPC1RAB9AADAM17
SCHEMBL9179616 0.73 CTSA (0.41) CTSAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380884-B1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-02-12 EP disclosed
US-8497382-B2 Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-30 US disclosed
EP-2380884-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-26 EP disclosed
US-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-29 US 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-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF PPARA, PPARD, PPARG CTSA 1785/4885ALDH1A1 305/4885NPC1 380/4885

“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.