Sugi Predict

Sugi Predict / Compounds / SCHEMBL23979045

SCHEMBL23979045

SCHEMBL23979045

CC(C)c1cccc(Nc2ccc(Cl)c(C(=O)NC(CNC(=O)NC3CCc4ccccc43)C(=O)O)c2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TAS1R3 Q7RTX0 5/20 0.39
▸ TAS1R1 Q7RTX1 5/20 0.39
▸ TAS1R2 Q8TE23 3/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TAOK1 Q7L7X3 1/20 0.36
▸ TAOK3 Q9H2K8 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ NPY1R P25929 1/20 0.35

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
SCHEMBL23978619 1.00 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL30279393 1.00 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL26104284 1.00 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL26493531 0.93 USP2 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL24803327 0.93 USP2 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL23979060 0.93 USP2 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL24803275 0.91 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL26484841 0.89 EPHX2 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL26493525 0.86 USP2 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL24804788 0.85 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2

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 ALDH1A1 399/4885TAS1R3 1142/4885TAS1R1 628/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885TAS1R3 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.