SCHEMBL24804265

SCHEMBL24804265

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.60
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX1 P07099 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 1/20 0.46
DHODH Q02127 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30279329 1.00 EPHX2 (0.60) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL23978684 1.00 EPHX2 (0.60) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL13585440 1.00 EPHX2 (0.60) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL12521716 0.93 HTT (0.63) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL13585298 0.89 EPHX2 (0.65) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL23978693 0.87 EPHX2 (0.54) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL23978638 0.87 EPHX2 (0.54) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL21376866 0.87 EPHX2 (0.54) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL30279330 0.87 EPHX2 (0.54) EPHX2HTTALDH1A1MEN1KMT2A
SCHEMBL26495666 0.87 EPHX2 (0.54) EPHX2HTTALDH1A1MEN1KMT2A

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
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 EPHX2 1037/4885HTT 4862/4885ALDH1A1 399/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 EPHX2 1037/4885HTT 4862/4885ALDH1A1 399/4885

“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.