SCHEMBL24804267

SCHEMBL24804267

CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1CCc2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
EPHX2 P34913 4/20 0.50
SCN9A Q15858 8/20 0.49
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.46
USP2 O75604 1/20 0.46
ACE P12821 1/20 0.44
TSHR P16473 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL24804266 1.00 ALDH1A1 (0.52) ALDH1A1EPHX2SCN9AHTTIDO1
SCHEMBL23978768 1.00 ALDH1A1 (0.52) ALDH1A1EPHX2SCN9AHTTIDO1
SCHEMBL30279443 1.00 ALDH1A1 (0.52) ALDH1A1EPHX2SCN9AHTTIDO1
SCHEMBL24106073 0.91 USP2 (0.54) ALDH1A1EPHX2SCN9AHTTUSP2
SCHEMBL30083843 0.89 EPHX2 (0.50) ALDH1A1EPHX2SCN9AHTTUSP2
SCHEMBL24804772 0.89 EPHX2 (0.50) ALDH1A1EPHX2SCN9AHTTUSP2
SCHEMBL24805458 0.89 EPHX2 (0.50) ALDH1A1EPHX2SCN9AHTTUSP2
SCHEMBL29019147 0.87 TRPV1 (0.45) ALDH1A1SCN9A
SCHEMBL29019148 0.84 EPHX2 (0.55) ALDH1A1EPHX2HTTIDO1USP2
SCHEMBL26505060 0.84 EPHX2 (0.46) ALDH1A1EPHX2SCN9AHTTUSP2

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-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

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 ALDH1A1 399/4885EPHX2 1037/4885SCN9A 440/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885EPHX2 1037/4885SCN9A 440/4885

“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.