SCHEMBL16489169

SCHEMBL16489169

COC(=O)C(Cc1ccc(-n2c(=O)c3ccccc3n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.65
ITGB7 P26010 15/20 0.65
ITGB1 P05556 13/20 0.65
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
PGR P06401 1/20 0.45

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
SCHEMBL10329614 1.00 ITGA4 (0.65) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL10329623 0.93 ITGA4 (0.63) ITGA4ITGB7ITGB1PGR
SCHEMBL29374360 0.91 ITGA4 (0.77) ITGA4ITGB7ITGB1
SCHEMBL10329613 0.91 ITGA4 (0.77) ITGA4ITGB7ITGB1
SCHEMBL6015064 0.91 ITGA4 (0.69) ITGA4ITGB7ITGB1
SCHEMBL13819338 0.91 ITGA4 (0.69) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL13376836 0.90 ITGA4 (0.66) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL10330085 0.89 ITGA4 (0.65) ITGA4ITGB7ITGB1PGR
SCHEMBL13376835 0.89 ITGA4 (0.65) ITGA4ITGB7ITGB1PGR
SCHEMBL10329620 0.89 ITGA4 (0.60) ITGA4ITGB7ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-9822110-B2 Sulfonamide derivative and pharmaceutical use thereof EA PHARMA CO., LTD. (JP) 2017-11-21 US disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
US-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2016-08-25 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 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 (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-20160244451-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF ITGA1, ITGB7, ITGB4 ITGA4 4/4885ITGB7 2/4885ITGB1 5/4885
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 ITGA4 2/4885ITGB7 16/4885ITGB1 14/4885

“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.