SCHEMBL24803485

SCHEMBL24803485

NC(CNC(=O)N[C@@H]1CCc2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.58
HTT P42858 1/20 0.47
TAOK1 Q7L7X3 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.44
USP2 O75604 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
TSHR P16473 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
IDO1 P14902 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42

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
SCHEMBL23978772 1.00 EPHX2 (0.58) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL30083831 1.00 EPHX2 (0.58) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL30083826 1.00 EPHX2 (0.58) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL23978767 1.00 EPHX2 (0.58) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL23979029 0.88 TRPV1 (0.46) EPHX2LIPG
SCHEMBL26508355 0.88 EPHX2 (0.45) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL23978895 0.88 TRPV1 (0.46) EPHX2LIPG
SCHEMBL23978737 0.87 EPHX2 (0.58) EPHX2HTTTAOK1MEN1KMT2A
SCHEMBL23978826 0.87 HTT (0.54) EPHX2HTTMEN1KMT2AEPHX1
SCHEMBL24804276 0.87 HTT (0.54) EPHX2HTTMEN1KMT2AEPHX1

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 2 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-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 4862/4885TAOK1 3440/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 EPHX2 1037/4885HTT 4862/4885TAOK1 3440/4885

“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.