SCHEMBL23979004

SCHEMBL23979004

O=C(NC[C@H](NC(=O)c1c(Cl)cc(C(=O)N2CCc3ccccc3C2)cc1Cl)C(=O)OCc1ccccc1)N[C@@H]1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ITGB2 P05107 11/20 0.43
ICAM1 P05362 11/20 0.43
ITGAL P20701 11/20 0.43
RECQL P46063 1/20 0.43
EPHX2 P34913 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30083856 1.00 MAPT (0.48) MAPTTDP1ITGB2ICAM1ITGAL
SCHEMBL24803375 1.00 MAPT (0.48) MAPTTDP1ITGB2ICAM1ITGAL
SCHEMBL24803486 0.96 EPHX2 (0.43) MAPTTDP1ITGB2ICAM1ITGAL
SCHEMBL30083840 0.96 EPHX2 (0.43) MAPTTDP1ITGB2ICAM1ITGAL
SCHEMBL24805463 0.96 EPHX2 (0.43) MAPTTDP1ITGB2ICAM1ITGAL
SCHEMBL24803177 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL29019152 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL23978606 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL23978729 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL30083837 0.90 ITGB2 (0.53) ITGB2ICAM1ITGALTAS1R3TAS1R1

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
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 (1 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 MAPT 4656/4885TDP1 2994/4885ITGB2 2/4885

“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.