Sugi Predict

Sugi Predict / Compounds / SCHEMBL23978757

SCHEMBL23978757

SCHEMBL23978757

CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 7/20 0.51
▸ ITGA5 P08648 7/20 0.51
▸ ITGAV P06756 2/20 0.44
▸ ITGB8 P26012 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ ITGA4 P13612 1/20 0.41

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
SCHEMBL23455400 0.93 ITGB1 (0.58) ITGB1ITGA5ITGAVITGB8ACE
SCHEMBL23455397 0.93 ITGB1 (0.58) ITGB1ITGA5ITGAVITGB8ACE
SCHEMBL23455520 0.90 ITGB1 (0.51) ITGB1ITGA5ITGAVITGB8ACE
SCHEMBL21358869 0.89 ITGB1 (0.48) ITGB1ITGA5ITGAVITGB8SYK
SCHEMBL21358871 0.89 ITGB1 (0.48) ITGB1ITGA5ITGAVITGB8SYK
SCHEMBL23978758 0.88 SYK (0.53) SYKCTSSCTSKCTSBKDM4E
SCHEMBL23455429 0.85 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8SYK
SCHEMBL23489201 0.85 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8SYK
SCHEMBL23455631 0.84 ITGB1 (0.61) ITGB1ITGA5ITGAVITGB8ACE
SCHEMBL23489237 0.83 ITGB1 (0.52) ITGB1ITGA5ITGAVITGB8ACE

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 — — CN disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 — — US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 — — 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA5 15/4885ITGAV 10/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA5 15/4885ITGAV 10/4885

“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.