SCHEMBL2175458

SCHEMBL2175458

COc1ccc2cc(S(=O)(=O)Cl)sc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL2174657 0.80 CA2 (0.72) CA2SMN1; SMN2LMNATRPV4ALDH1A1
SCHEMBL2176023 0.76 ALDH1A1 (0.37) CA2SMN1; SMN2LMNAHTTPOLB
SCHEMBL2174521 0.68 CA2 (0.72) CA2HTTMAPK1ALDH1A1TSHR
SCHEMBL2176018 0.67 CA2 (0.46) CA2ALDH1A1
SCHEMBL2175150 0.67 CA2 (0.53) CA2LMNAPOLBALDH1A1KDM4E
SCHEMBL2175480 0.65 HDAC3 (0.49) CA2MAPK1ALDH1A1MAPT
SCHEMBL6176193 0.65 TRPV4 (0.50) SMN1; SMN2LMNAHTTTRPV4POLB
SCHEMBL2173848 0.65 CA2 (1.00) CA2LMNAALDH1A1
SCHEMBL2176133 0.65 CA2 (0.72) CA2ALDH1A1KDM4EMAPT
SCHEMBL31511125 0.63 TSHR (0.44) SMN1; SMN2LMNAHTTTRPV4POLB

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 1616/4885SMN1; SMN2 3920/4885LMNA 4396/4885

“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.