SCHEMBL23979054

SCHEMBL23979054

O=C(Cc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)NCc2ccccc2OCc2ccccc2)C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SLC1A5 Q15758 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 2/20 0.37
GPR34 Q9UPC5 2/20 0.36
P2RX4 Q99571 1/20 0.36
KCNQ2 O43526 2/20 0.36
ITGAL P20701 1/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL30083822 1.00 PPIA (0.40) PPIAGAAKDM4EALDH1A1SLC1A5
SCHEMBL26107303 1.00 PPIA (0.40) PPIAGAAKDM4EALDH1A1SLC1A5
SCHEMBL30279434 1.00 PPIA (0.40) PPIAGAAKDM4EALDH1A1SLC1A5
SCHEMBL30279382 0.88 KCNQ2 (0.39) GAAKDM4EALDH1A1SMN1; SMN2KCNQ2
SCHEMBL23978590 0.88 KCNQ2 (0.39) GAAKDM4EALDH1A1SMN1; SMN2KCNQ2
SCHEMBL23978614 0.88 KCNQ2 (0.39) GAAKDM4EALDH1A1SMN1; SMN2KCNQ2
SCHEMBL26497500 0.87 PPIA (0.40) PPIAGAAKDM4EALDH1A1SLC1A5
SCHEMBL23979071 0.82 ALDH1A1 (0.39) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL30279338 0.82 ALDH1A1 (0.39) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL26104460 0.82 ALDH1A1 (0.39) GAAKDM4EALDH1A1NPC1RAB9A

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 3 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
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 PPIA 2198/4885GAA 1681/4885KDM4E 3779/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 PPIA 2198/4885GAA 1681/4885KDM4E 3779/4885

“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.