SCHEMBL20577698

SCHEMBL20577698

Cc1c(C)n(C)c(=O)n(-c2ccc(CC(N)C(=O)O)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.46
▸ PTGS1 P23219 3/20 0.44
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ TYR P14679 5/20 0.43
▸ TPH1 P17752 1/20 0.43
▸ GRB2 P62993 1/20 0.40
▸ HIF1A Q16665 4/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RECQL P46063 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
SCHEMBL20577697 1.00 SLC7A5 (0.46) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19235521 0.87 ALDH1A1 (0.38) PTGS2ALDH1A1ITGB1ITGA4ITGB7
SCHEMBL19235522 0.87 ALDH1A1 (0.38) PTGS2ALDH1A1ITGB1ITGA4ITGB7
SCHEMBL20577715 0.87 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL20577713 0.87 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL20577891 0.85 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL20577894 0.85 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL20578157 0.82 HSD17B10 (0.40) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL20578156 0.82 HSD17B10 (0.40) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL23222700 0.81 PGR (0.31) ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699008-B Sulfonamide derivatives and pharmaceutical compositions containing the same EA制药株式会社 2021-10-08 — — CN disclosed
EP-3412660-B9 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO LTD (JP) 2021-04-14 — — EP disclosed
EP-3412660-B1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO LTD (JP) 2020-11-18 — — EP disclosed
US-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity EA PHARMA CO., LTD. (JP) 2020-02-18 — — US disclosed
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-02-07 — — US disclosed
EP-3412660-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA Pharma Co., Ltd. (JP) 2018-12-12 — — EP 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 (2 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-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity ITGB4, ITGB7, ITGA4 SLC7A5 2051/4885PTGS1 3764/4885ALPI 2880/4885
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ITGB4, ITGB5, ITGA4 SLC7A5 1824/4885PTGS1 3067/4885ALPI 2998/4885

“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.

Send feedback