SCHEMBL21823910

SCHEMBL21823910

Nc1ncc(-c2cccc(S(N)(=O)=O)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
CSNK2A1 P68400 1/20 0.48
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 6/20 0.46
CA4 P22748 2/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 1/20 0.46
CDK8 P49336 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 3/20 0.46
PRF1 P14222 1/20 0.45
LRRK2 Q5S007 2/20 0.45
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
PIK3CD O00329 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL12601168 0.77 MAP4K4 (0.53) LOXL2CSNK2A1HSD17B1HSD17B2MAOA
SCHEMBL29709318 0.77 CDK8 (0.53) CA1CA2CA9CA4CA12
SCHEMBL21074248 0.77 CDK8 (0.53) CA1CA2CA9CA4CA12
SCHEMBL69900 0.76 CSNK2A1 (0.62) LOXL2CSNK2A1KDRIKBKB
Bromide SCHEMBL22834317 0.75 CSNK2A1 (0.61) LOXL2CSNK2A1KDRIKBKB
Hydrochloric Acid SCHEMBL11145599 0.75 CSNK2A1 (0.61) LOXL2CSNK2A1KDRIKBKB
SCHEMBL9954813 0.74 ALDH1A1 (0.54) LOXL2CSNK2A1KDRHSD17B1HSD17B2
SCHEMBL2406426 0.74 CSNK2A1 (0.49) LOXL2CSNK2A1HSD17B1HSD17B2
SCHEMBL2406300 0.74 KDM4E (0.54) LOXL2CSNK2A1KDRHSD17B1HSD17B2
SCHEMBL29389381 0.74 CSNK2A1 (0.49) LOXL2CSNK2A1HSD17B1HSD17B2

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
EP-3860598-B1 VEMURAFENIB AND SALTS THEREOF FOR USE IN THE TREATMENT OF ENTEROVIRAL INFECTIONS JYVAESKYLAEN YLIOPISTO (FI) 2023-09-06 EP disclosed
US-20210244716-A1 Vemurafenib and salts thereof for use in the treatment of enteroviral infections Jyväskylän Yliopisto (FI) 2021-08-12 US disclosed
EP-3860598-A1 VEMURAFENIB AND SALTS THEREOF FOR USE IN THE TREATMENT OF ENTEROVIRAL INFECTIONS Jyväskylän Yliopisto (FI) 2021-08-11 EP disclosed
WO-2020070390-A1 VEMURAFENIB AND SALTS THEREOF FOR USE IN THE TREATMENT OF ENTEROVIRAL INFECTIONS Jyväskylän Yliopisto (FI) 2020-04-09 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-20210244716-A1 Vemurafenib and salts thereof for use in the treatment of enteroviral infections BRAF, VHL, ETV6 LOXL2 3637/4885CSNK2A1 3554/4885CA1 4154/4885

“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.