Sugi Predict

Sugi Predict / Compounds / SCHEMBL23978809

SCHEMBL23978809

SCHEMBL23978809

CN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(Cl)c1)C2=O)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 9/20 0.37
▸ ICAM1 P05362 9/20 0.37
▸ ITGAL P20701 9/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL24804676 1.00 ITGB2 (0.37) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL24804257 0.96 ITGB2 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23978803 0.96 ITGB2 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23979036 0.95 ITGB2 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23978555 0.95 ITGB2 (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23978842 0.93 LMNA (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL24804783 0.93 LMNA (0.38) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL24804805 0.92 ITGB2 (0.44) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23978965 0.92 ITGB2 (0.44) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL23978797 0.89 ITGB2 (0.40) ITGB2ICAM1ITGALALDH1A1MAPT

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 4 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
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 — — EP 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 ITGB2 2/4885ICAM1 21/4885ITGAL 7/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGB2 2/4885ICAM1 21/4885ITGAL 7/4885

“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.