SCHEMBL24804232

SCHEMBL24804232

O=C(NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccccc1)C2=O)C(=O)OCc1ccccc1)N[C@@H]1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
ITGB2 P05107 6/20 0.38
ICAM1 P05362 6/20 0.38
ITGAL P20701 6/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
ACKR3 P25106 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
MAPK1 P28482 3/20 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
SCHEMBL26477771 1.00 EPHX2 (0.40) EPHX2ITGB2ICAM1ITGALTAS1R3
SCHEMBL30083854 1.00 EPHX2 (0.40) EPHX2ITGB2ICAM1ITGALTAS1R3
SCHEMBL30083823 0.97 ITGB2 (0.40) EPHX2ITGB2ICAM1ITGALACKR3
SCHEMBL24804737 0.97 ITGB2 (0.40) EPHX2ITGB2ICAM1ITGALACKR3
SCHEMBL24804736 0.97 ITGB2 (0.40) EPHX2ITGB2ICAM1ITGALACKR3
SCHEMBL24803447 0.96 EPHX2 (0.37) EPHX2ITGB2ICAM1ITGALTAS1R3
SCHEMBL24804916 0.96 EPHX2 (0.37) EPHX2ITGB2ICAM1ITGALTAS1R3
SCHEMBL30083832 0.96 EPHX2 (0.37) EPHX2ITGB2ICAM1ITGALTAS1R3
SCHEMBL24803248 0.92 ITGB2 (0.44) EPHX2ITGB2ICAM1ITGAL
SCHEMBL23978734 0.92 ITGB2 (0.44) EPHX2ITGB2ICAM1ITGAL

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 1037/4885ITGB2 2/4885ICAM1 21/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 EPHX2 1037/4885ITGB2 2/4885ICAM1 21/4885

“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.