SCHEMBL23489196

SCHEMBL23489196

NC[C@H](NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.45
CASP3 P42574 1/20 0.43
MGLL Q99685 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 3/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MBTPS1 Q14703 1/20 0.39
TP53 P04637 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL23489210 0.87 ITGB1 (0.45) ACECASP3MGLLPOLBMEN1
SCHEMBL23489260 0.86 TAS1R3 (0.43) MEN1KMT2AITGB1ITGA5
SCHEMBL23489207 0.86 TAS1R3 (0.43) MEN1KMT2AITGB1ITGA5
SCHEMBL23489408 0.83 ITGB1 (0.48) MEN1KMT2AITGB1ITGA5
SCHEMBL23489479 0.83 ITGB1 (0.42) ACECASP3POLBMAPTITGB1
SCHEMBL23489231 0.82 ITGB1 (0.52) ACECASP3TACR1RAB9AMEN1
SCHEMBL26478066 0.81 ITGB1 (0.46) MEN1KMT2AITGB1ITGA5
SCHEMBL23978758 0.80 SYK (0.53) POLBPPARAMEN1MAPTKMT2A
SCHEMBL23489597 0.77 MEN1 (0.41) MGLLNPC1RAB9AMEN1MAPT
SCHEMBL29017554 0.76 CTSK (0.56) TACR1ALDH1A1

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 8 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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN 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-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 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
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 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 (4 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 ACE 1928/4885CASP3 3587/4885MGLL 4280/4885
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ACE 603/4885CASP3 3714/4885MGLL 2574/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ACE 1928/4885CASP3 3587/4885MGLL 4280/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ACE 603/4885CASP3 3714/4885MGLL 2574/4885

“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.