SCHEMBL23978638

SCHEMBL23978638

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
TSHR P16473 1/20 0.54
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
EPHX1 P07099 1/20 0.44
NPC1 O15118 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
SCHEMBL26495666 1.00 EPHX2 (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL30279330 1.00 EPHX2 (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL21376866 1.00 EPHX2 (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL23978693 1.00 EPHX2 (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL30083834 0.91 HTT (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL23978826 0.91 HTT (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL24804276 0.91 HTT (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL26506943 0.91 HTT (0.54) EPHX2TSHRUSP2HTTKMT2A
SCHEMBL30279329 0.87 EPHX2 (0.60) EPHX2HTTKMT2AMEN1ALDH1A1
SCHEMBL24804265 0.87 EPHX2 (0.60) EPHX2HTTKMT2AMEN1ALDH1A1

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
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 EPHX2 1037/4885TSHR 3073/4885USP2 1793/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 EPHX2 1037/4885TSHR 3073/4885USP2 1793/4885

“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.