SCHEMBL23978671

SCHEMBL23978671

COC(=O)[C@H](CNC(=O)N[C@@H]1CCc2ccccc21)NC(=O)c1c(Cl)ccc(N)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
TAS1R3 Q7RTX0 6/20 0.46
TAS1R1 Q7RTX1 6/20 0.46
TAS1R2 Q8TE23 4/20 0.46
TSHR P16473 1/20 0.44
EPHX2 P34913 2/20 0.42
HTT P42858 1/20 0.41
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL23978656 1.00 USP2 (0.49) USP2TAS1R3TAS1R1TAS1R2TSHR
SCHEMBL26494018 1.00 USP2 (0.49) USP2TAS1R3TAS1R1TAS1R2TSHR
SCHEMBL30279430 1.00 USP2 (0.49) USP2TAS1R3TAS1R1TAS1R2TSHR
SCHEMBL23978988 0.90 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL30279441 0.90 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL23978569 0.90 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL26104441 0.90 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL30083836 0.90 EPHX2 (0.46) USP2TAS1R3TAS1R1TAS1R2TSHR
SCHEMBL24803388 0.90 EPHX2 (0.46) USP2TAS1R3TAS1R1TAS1R2TSHR
SCHEMBL26496578 0.90 EPHX2 (0.46) USP2TAS1R3TAS1R1TAS1R2TSHR

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-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
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 USP2 1793/4885TAS1R3 1142/4885TAS1R1 628/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 USP2 1793/4885TAS1R3 1142/4885TAS1R1 628/4885

“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.