SCHEMBL22016793

SCHEMBL22016793

COC(=O)[C@H](Cc1ccc(-c2c(Cl)cc(F)cc2Cl)c2c1OCCO2)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.38
ITGB1 P05556 8/20 0.38
ITGA4 P13612 5/20 0.38
ITGB7 P26010 3/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
ITGA5 P08648 3/20 0.37
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
CNR2 P34972 1/20 0.36
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
AKT3 Q9Y243 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL29736542 0.96 NOS2 (0.37) NOS2ITGB1ITGA4ITGB7TAS1R3
SCHEMBL22016798 0.94 NPC1 (0.37) NOS2ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL24198686 0.91 ITGB1 (0.42) NOS2ITGB1ITGA4ITGB7TAS1R3
SCHEMBL29736530 0.91 ITGB1 (0.42) NOS2ITGB1ITGA4ITGB7TAS1R3
SCHEMBL29736602 0.90 NPC1 (0.36) NOS2ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL21955007 0.90 ITGB1 (0.46) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL21955008 0.90 ITGB1 (0.46) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL24198691 0.89 NLRP3 (0.37) NOS2ITGB1ITGA4ITGB7ITGA5
SCHEMBL22017357 0.88 CNR2 (0.36) NOS2ITGB1ITGA4ITGB7TAS1R3
SCHEMBL24198689 0.87 NOS2 (0.35) NOS2ITGB1ITGA4ITGB7ITGA5

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
US-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 NOS2 2639/4885ITGB1 4/4885ITGA4 3/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 NOS2 2639/4885ITGB1 4/4885ITGA4 3/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 NOS2 2639/4885ITGB1 4/4885ITGA4 3/4885

“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.