SCHEMBL2177013

SCHEMBL2177013

Cc1ccc2scc(S(=O)(=O)Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.52
▸ MAPT P10636 12/20 0.42
▸ TP53 P04637 7/20 0.42
▸ THRB P10828 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.33

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
SCHEMBL26977721 0.86 CA2 (0.42) CA2MAPTTP53THRBUSP2
SCHEMBL2176037 0.81 CA2 (0.54) CA2MAPTTP53CYP2A6LMNA
SCHEMBL2089910 0.79 MTNR1A (0.45) CA2MAPTPOLB
SCHEMBL288542 0.74 CA1 (0.47) CA2MAPTCYP2A6
SCHEMBL29469856 0.74 CA1 (0.47) CA2MAPTCYP2A6
SCHEMBL28920141 0.74 CA2 (0.49) CA2MAPTLMNAPOLB
SCHEMBL422138 0.72 CYP2A6 (0.50) CA2MAPTTP53THRBUSP2
SCHEMBL423281 0.71 CYP2A6 (0.64) CA2MAPTTP53THRBUSP2
SCHEMBL30729957 0.70 PDPK1 (0.44) CA2MAPTCYP2A6
SCHEMBL7213509 0.70 PDPK1 (0.44) CA2MAPTCYP2A6

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
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 — — US 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 CA2 1616/4885MAPT 1274/4885TP53 3038/4885

“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.

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