SCHEMBL18009482

SCHEMBL18009482

Cc1c(-c2ccc(C[C@H](N)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.58
ITGA4 P13612 11/20 0.58
ITGB7 P26010 11/20 0.58
SLC7A5 Q01650 2/20 0.47
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
TYR P14679 5/20 0.44
TPH1 P17752 1/20 0.41
GRB2 P62993 1/20 0.41

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
SCHEMBL18009483 1.00 ITGB1 (0.58) ITGB1ITGA4ITGB7SLC7A5ALPI
SCHEMBL20387784 0.86 ITGA4 (0.53) ITGB1ITGA4ITGB7
SCHEMBL5163380 0.86 ITGA4 (0.53) ITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL15137423 0.85 ITGA4 (0.52) ITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL5164799 0.85 ITGA4 (0.52) ITGB1ITGA4ITGB7
SCHEMBL18040325 0.84 ITGB1 (0.52) ITGB1ITGA4ITGB7
SCHEMBL7382564 0.83 ITGB1 (0.48) ITGB1ITGA4ITGB7TYR
SCHEMBL15139759 0.83 ITGB1 (0.48) ITGB1ITGA4ITGB7TYRTPH1
SCHEMBL15139761 0.83 ITGB1 (0.48) ITGB1ITGA4ITGB7TYRTPH1
SCHEMBL6237085 0.83 ITGB1 (0.61) ITGB1ITGA4ITGB7SLC7A5ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 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-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF ITGA1, ITGB7, ITGB4 ITGB1 5/4885ITGA4 4/4885ITGB7 2/4885

“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.