SCHEMBL23489207

SCHEMBL23489207

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
ITGB1 P05556 3/20 0.43
ITGA5 P08648 3/20 0.43
PYGL P06737 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP26A1 O43174 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
ATM Q13315 1/20 0.40
TACR3 P29371 1/20 0.40

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
SCHEMBL23489260 1.00 TAS1R3 (0.43) TAS1R3TAS1R1ITGB1ITGA5PYGL
SCHEMBL26478066 0.87 ITGB1 (0.46) ITGB1ITGA5CYP1A2CYP2C9CYP2C19
SCHEMBL23489408 0.87 ITGB1 (0.48) ITGB1ITGA5CYP1A2CYP2C9CYP2C19
SCHEMBL23489196 0.86 ACE (0.45) ITGB1ITGA5MEN1KMT2A
SCHEMBL23455252 0.86 ITGB1 (0.49) TAS1R3TAS1R1ITGB1ITGA5PYGL
SCHEMBL23489603 0.86 ITGB1 (0.49) TAS1R3TAS1R1ITGB1ITGA5PYGL
SCHEMBL13923469 0.85 ITGB2 (0.47) TAS1R3TAS1R1ITGB1ITGA5
SCHEMBL5781666 0.85 ITGB2 (0.47) TAS1R3TAS1R1ITGB1ITGA5
SCHEMBL23455522 0.82 ITGB1 (0.49) TAS1R3TAS1R1ITGB1ITGA5PYGL
SCHEMBL23489200 0.82 ITGB1 (0.49) TAS1R3TAS1R1ITGB1ITGA5PYGL

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 TAS1R3 1142/4885TAS1R1 628/4885ITGB1 1/4885
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 TAS1R3 3047/4885TAS1R1 1309/4885ITGB1 138/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TAS1R3 1142/4885TAS1R1 628/4885ITGB1 1/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 TAS1R3 3047/4885TAS1R1 1309/4885ITGB1 138/4885

“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.