SCHEMBL2176037

SCHEMBL2176037

O=S(=O)(Cl)c1csc2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.54
▸ CYP2A6 P11509 4/20 0.53
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.42
▸ GAB1 Q13480 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 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
SCHEMBL30729957 0.86 PDPK1 (0.44) CA2CYP2A6KEAP1NFE2L2TRPV4
SCHEMBL7213509 0.86 PDPK1 (0.44) CA2CYP2A6KEAP1NFE2L2TRPV4
SCHEMBL2177013 0.81 CA2 (0.52) CA2CYP2A6MAPTLMNATP53
SCHEMBL6633924 0.80 CYP2A6 (0.51) CA2CYP2A6KEAP1NFE2L2GAB1
SCHEMBL4210638 0.77 CYP2A6 (0.83) CA2CYP2A6KEAP1NFE2L2GAB1
SCHEMBL2089910 0.77 MTNR1A (0.45) CA2TRPV4KDM4EMAPT
SCHEMBL288542 0.76 CA1 (0.47) CA2CYP2A6PDPK1KDM4EMAPT
SCHEMBL29469856 0.76 CA1 (0.47) CA2CYP2A6PDPK1KDM4EMAPT
SCHEMBL29017448 0.72 CYP2A6 (0.64) CA2CYP2A6KEAP1NFE2L2KDM4E
SCHEMBL2176655 0.72 NPC1 (0.42) CA2KDM4EMAPTSMN1; SMN2LMNA

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 1616/4885CYP2A6 1152/4885KEAP1 538/4885

“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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