SCHEMBL4619216

SCHEMBL4619216

COc1cccc(I)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.39
AMY1A P0DUB6 1/20 0.39

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
SCHEMBL3790244 0.83 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL19407002 0.79 KDM4E (0.40) CA1CA2CA7CA9CA12
SCHEMBL4136425 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL30772335 0.76 CA12 (0.50) CA1CA2CA7CA9CA12
SCHEMBL7285232 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL78713 0.76 CA12 (0.50) CA1CA2CA7CA9CA12
SCHEMBL245025 0.75
SCHEMBL29463736 0.75
SCHEMBL4156068 0.74 SMN1; SMN2 (0.50) CA1CA2CA7CA9CA12
SCHEMBL2625749 0.74 CA1 (0.48) CA1CA2CA7CA9CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP disclosed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 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-20060270874-A1 Styrylsulfonamides STS, SULT1E1, BRCA1 CA1 2402/4885CA2 2520/4885CA7 863/4885

“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.