SCHEMBL22983181

SCHEMBL22983181

Cc1cc(C(F)(F)F)c(-c2ccc(CC(N)C(=O)O)cc2F)c(=O)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.49
ITGA4 P13612 9/20 0.49
ITGB7 P26010 9/20 0.49
GRB2 P62993 1/20 0.39
SLC7A5 Q01650 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 3/20 0.38

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
SCHEMBL22983179 1.00 ITGB1 (0.49) ITGB1ITGA4ITGB7GRB2SLC7A5
SCHEMBL22983622 0.91 ITGB1 (0.49) ITGB1ITGA4ITGB7GRB2SLC7A5
SCHEMBL23003302 0.91 ITGB1 (0.49) ITGB1ITGA4ITGB7GRB2SLC7A5
SCHEMBL22996662 0.89 ITGB1 (0.45) ITGB1ITGA4ITGB7PTGS2
SCHEMBL6297453 0.86 ITGB1 (0.63) ITGB1ITGA4ITGB7GRB2SLC7A5
SCHEMBL22982364 0.86 ITGB1 (0.63) ITGB1ITGA4ITGB7GRB2SLC7A5
SCHEMBL21979276 0.80 ITGB1 (0.48) ITGB1ITGA4ITGB7KDM4ERECQL
SCHEMBL21979273 0.80 ITGB1 (0.48) ITGB1ITGA4ITGB7KDM4ERECQL
SCHEMBL22996698 0.80 ITGB1 (0.45) ITGB1ITGA4ITGB7PTGS2
SCHEMBL22996661 0.77 PDE3B (0.41) ITGB1ITGA4ITGB7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
EP-4013499-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-06-22 EP disclosed
CN-114222730-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2022-03-22 CN disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 US disclosed
WO-2021030438-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-02-18 WO 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-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-20210053967-A1 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.