SCHEMBL22031387

SCHEMBL22031387

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)c3cccnc23)C(=O)OC)c(F)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.34
DGAT2 Q96PD7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL29671102 1.00 CXCR2 (0.34) CXCR2DGAT2NPC1RAB9A
SCHEMBL29671124 1.00 CXCR2 (0.34) CXCR2DGAT2NPC1RAB9A
SCHEMBL28568330 1.00 CXCR2 (0.34) CXCR2DGAT2NPC1RAB9A
SCHEMBL21979234 0.93 ITGB2 (0.34) CXCR2DGAT2
SCHEMBL21979237 0.93 ITGB2 (0.34) CXCR2DGAT2
SCHEMBL22031390 0.90 ITGB2 (0.33) CXCR2NPC1RAB9A
SCHEMBL29671097 0.90 ITGB2 (0.33) CXCR2NPC1RAB9A
SCHEMBL29221887 0.86 CXCR2 (0.34) CXCR2DGAT2NPC1RAB9A
SCHEMBL22035226 0.86 ITGB2 (0.38) CXCR2DGAT2NPC1RAB9A
SCHEMBL29671162 0.86 ITGB2 (0.38) CXCR2DGAT2NPC1RAB9A

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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 CXCR2 145/4885DGAT2 4135/4885NPC1 1334/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CXCR2 115/4885DGAT2 3969/4885NPC1 1510/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CXCR2 145/4885DGAT2 4135/4885NPC1 1334/4885

“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.