SCHEMBL2176018

SCHEMBL2176018

Cc1cccc2cc(S(=O)(=O)Cl)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2A6 P11509 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL2177921 0.83 CA2 (0.68) CA2CA12CA1CA9
SCHEMBL2175480 0.81 HDAC3 (0.49) CA2CHRNA7HTR3ACYP1A2CYP2A6
SCHEMBL2174657 0.80 CA2 (0.72) CA2CA12CA1CA9CHRNA7
SCHEMBL9353727 0.77 CA2 (0.40) CA2CA12CA1CA9ALDH1A1
SCHEMBL2166154 0.74 CA2 (0.42) CA2CYP1A2ALDH1A1
SCHEMBL2174718 0.72 BRD4 (0.38) CA2ALDH1A1
SCHEMBL7425042 0.72 CA2 (0.46) CA2CYP1A2CYP2A6ALDH1A1PKM
SCHEMBL2175150 0.72 CA2 (0.53) CA2CHRNA7HTR3AALDH1A1
SCHEMBL10690497 0.72 CYP2A6 (0.37) CA2CA1CA9CHRNA7HTR3A
SCHEMBL147113 0.71 ALDH1A1 (0.39) CA2CA1CA9CHRNA7HTR3A

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 1616/4885CA12 4148/4885CA1 3718/4885

“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.