SCHEMBL24312124

SCHEMBL24312124

COC(=O)c1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.54
CYTH2 Q99418 1/20 0.52
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.49
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
ACLY P53396 1/20 0.48
TCF4 P15884 2/20 0.48
CTNNB1 P35222 2/20 0.48
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL16469750 0.88 CA12 (0.51) KDM4EKMT2ATCF4CTNNB1MEN1
SCHEMBL16489168 0.87 KDM4E (0.47) KDM4ETCF4CTNNB1ALDH1A1GAA
SCHEMBL16470520 0.86 NHERF1 (0.51) KDM4ETCF4CTNNB1ALDH1A1
SCHEMBL16469850 0.86 KDM4E (0.49) KDM4ETCF4CTNNB1ALDH1A1GAA
SCHEMBL16469306 0.86 ALDH1A1 (0.52) KDM4EKMT2ATCF4CTNNB1MEN1
SCHEMBL22017159 0.85 FFAR4 (0.59) FFAR4CYTH2KMT2AIL1RNKEAP1
SCHEMBL16528885 0.83 FFAR4 (0.58) FFAR4KDM4EKMT2AHSD17B10MEN1
SCHEMBL28058154 0.82 TDP1 (0.62) KDM4EKMT2AMEN1ALDH1A1PKM
SCHEMBL8249331 0.81 KDM4E (0.70) CYTH2KDM4EKMT2AIL1RNKEAP1
SCHEMBL16470200 0.81 CYP3A4 (0.50) KDM4ETCF4CTNNB1

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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B FFAR4 1263/4885CYTH2 1396/4885KDM4E 1390/4885

“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.