SCHEMBL23978615

SCHEMBL23978615

CN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(O)c2)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MT-CO2 P00403 1/20 0.38
ROCK2 O75116 3/20 0.38
ITGAL P20701 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
LMNA P02545 1/20 0.37
S1PR4 O95977 2/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 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
SCHEMBL26498790 1.00 MAPT (0.40) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL23978995 0.93 TACR1 (0.42) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL26502639 0.93 TACR1 (0.42) MAPTALDH1A1RECQLMEN1KMT2A
SCHEMBL23978649 0.92 ITGAL (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL30279400 0.92 ITGAL (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL23978549 0.92 ITGAL (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL23978668 0.85 MT-CO2 (0.39) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL23978942 0.84 ITGB1 (0.46) MEN1KMT2ANPC1ITGB1ITGA5
SCHEMBL30279319 0.84 ITGB1 (0.46) MEN1KMT2ANPC1ITGB1ITGA5
SCHEMBL23978567 0.84 ITGB1 (0.46) MEN1KMT2ANPC1ITGB1ITGA5

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 6 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
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 EP 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
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 MAPT 4656/4885ALDH1A1 399/4885RECQL 4804/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 MAPT 4656/4885ALDH1A1 399/4885RECQL 4804/4885

“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.