SCHEMBL3769130

SCHEMBL3769130

O=S(=O)(Nc1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 19/20 0.70
CYP2C9 P11712 2/20 0.64
SLC22A6 Q4U2R8 2/20 0.64
SLC22A8 Q8TCC7 2/20 0.64
SLC22A11 Q9NSA0 2/20 0.64
CYP3A4 P08684 1/20 0.62
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL29118842 0.87 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL95728 0.87 SLC22A12 (0.68) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL3720283 0.83 SLC22A12 (0.62) SLC22A12MEN1ALDH1A1KMT2A
SCHEMBL15480544 0.81 SLC22A12 (0.60) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL7627388 0.80 KEAP1 (0.67) MEN1ALDH1A1KMT2A
SCHEMBL15486381 0.80 SLC22A12 (0.77) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL3555598 0.80 PKLR (0.58) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL17698979 0.79 SLC22A12 (0.60) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL29541246 0.79 SLC22A12 (0.69) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL17559542 0.79 SLC22A12 (1.00) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11

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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 WO disclosed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY SLC22A12 3168/4885CYP2C9 2118/4885SLC22A6 2807/4885

“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.