SCHEMBL22016481

SCHEMBL22016481

COC(=O)[C@@H](N)Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.38
ITGA4 P13612 9/20 0.38
ITGB7 P26010 9/20 0.38
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21954933 0.89 ITGB1 (0.41) ITGB1ITGA4ITGB7L3MBTL1HTT
SCHEMBL21954932 0.89 ITGB1 (0.41) ITGB1ITGA4ITGB7L3MBTL1HTT
SCHEMBL29736325 0.82 ITGB1 (0.36) ITGB1ITGA4ITGB7PTGS2L3MBTL1
SCHEMBL22016797 0.82 ITGB1 (0.36) ITGB1ITGA4ITGB7PTGS2L3MBTL1
SCHEMBL5162201 0.76 ITGB1 (0.55) ITGB1ITGA4ITGB7PTGS2
SCHEMBL22016795 0.75 PTGS2 (0.34) PTGS2L3MBTL1MAPT
SCHEMBL29736282 0.74 MEN1 (0.36) PTGS2LMNA
SCHEMBL20387784 0.73 ITGA4 (0.53) ITGB1ITGA4ITGB7PTGS2LMNA
SCHEMBL5163380 0.73 ITGA4 (0.53) ITGB1ITGA4ITGB7PTGS2LMNA
SCHEMBL22038823 0.73 ITGB1 (0.35) ITGB1ITGA4ITGB7L3MBTL1SMN1; SMN2

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 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885

“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.