SCHEMBL21358709

SCHEMBL21358709

O=C(NCc1ccccc1)NCC(NC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.48
TXNRD1 Q16881 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ITGB1 P05556 7/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ITGA2 P17301 6/20 0.44
PPIA P62937 1/20 0.43
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANPEP P15144 1/20 0.41
GAA P10253 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
SCHEMBL21358708 1.00 ITGA4 (0.48) ITGA4TXNRD1ALDH1A1ITGB1MAPT
SCHEMBL21358810 0.84 ITGB1 (0.55) ITGA4ALDH1A1ITGB1L3MBTL1ITGA2
SCHEMBL21358813 0.84 ITGB1 (0.55) ITGA4ALDH1A1ITGB1L3MBTL1ITGA2
SCHEMBL21376280 0.82 ITGB1 (0.53) ITGA4ITGB1ITGA2
SCHEMBL21358834 0.79 ITGB2 (0.56) ITGA4ALDH1A1ITGB1L3MBTL1ITGA2
SCHEMBL21358836 0.79 ITGB2 (0.56) ITGA4ALDH1A1ITGB1L3MBTL1ITGA2
SCHEMBL21358862 0.79 ALDH1A1 (0.58) ALDH1A1ITGB1MAPTHPGDL3MBTL1
SCHEMBL21358861 0.79 ALDH1A1 (0.58) ALDH1A1ITGB1MAPTHPGDL3MBTL1
SCHEMBL21358699 0.79 ITGA4 (0.55) ITGA4ALDH1A1ITGB1ITGA2
SCHEMBL21358701 0.79 ITGA4 (0.55) ITGA4ALDH1A1ITGB1ITGA2

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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 EP disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 ITGA4 15/4885TXNRD1 4418/4885ALDH1A1 382/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ITGA4 15/4885TXNRD1 4418/4885ALDH1A1 382/4885

“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.