SCHEMBL3764112

SCHEMBL3764112

COC(=O)C=Cc1cc(OC)cc(OC)c1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGS2 P35354 6/20 0.41
LY96 Q9Y6Y9 1/20 0.41
PTGS1 P23219 4/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3764106 1.00 MAPT (0.43) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3773201 0.81 GABRA1 (0.44) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL3773204 0.81 GABRA1 (0.44) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL1881669 0.78 ABCG2 (0.66) ALDH1A1ABCG2EPHX2PTGS2PTGS1
SCHEMBL1881666 0.78 ABCG2 (0.66) ALDH1A1ABCG2EPHX2PTGS2PTGS1
SCHEMBL3762002 0.77 JUN (0.48) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3762007 0.77 JUN (0.48) MAPTALDH1A1MEN1KMT2AJUN
SCHEMBL3763457 0.76 NFE2L2 (0.47) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL3763460 0.76 NFE2L2 (0.47) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL2496728 0.75 CYP1A2 (0.47) MAPTALDH1A1MEN1KMT2AABCG2

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 1 patent. 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

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 MAPT 2661/4885ALDH1A1 1941/4885MEN1 4582/4885

“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.