SCHEMBL2176655

SCHEMBL2176655

COC(=O)c1ccc2scc(S(=O)(=O)Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CMA1 P23946 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ MAPT P10636 3/20 0.40

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
SCHEMBL13201395 0.78 CYP2A6 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2259954 0.78 NOTUM (0.49) NPC1RAB9AALDH1A1SMN1; SMN2CA12
SCHEMBL12365381 0.77 KDM4E (0.42) NPC1RAB9AALDH1A1SMN1; SMN2CA12
SCHEMBL8139083 0.77 KDM4E (0.53) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2089910 0.77 MTNR1A (0.45) NPC1RAB9AALDH1A1L3MBTL1CA2
SCHEMBL2960090 0.74 CYP2A6 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2CA12
SCHEMBL2968704 0.74 CYP2A6 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2CA12
SCHEMBL2177013 0.74 CA2 (0.52) CA2MAPTLMNATP53
SCHEMBL23909562 0.73 NQO2 (0.48) ALDH1A1SMN1; SMN2L3MBTL1CYP1A2TSHR
SCHEMBL9324149 0.73 KDM4E (0.53) ALDH1A1SMN1; SMN2L3MBTL1CYP1A2TSHR

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-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 — — US disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 — — 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 NPC1 2662/4885RAB9A 2410/4885ALDH1A1 525/4885

“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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