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Sugi Predict / Compounds / SCHEMBL23978748

SCHEMBL23978748

SCHEMBL23978748

CC(C)CCNc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]2CCc3ccccc32)C(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ KCNA5 P22460 1/20 0.46
▸ EPHX2 P34913 4/20 0.43
▸ HTT P42858 1/20 0.40
▸ TAS1R3 Q7RTX0 6/20 0.40
▸ TAS1R1 Q7RTX1 6/20 0.40
▸ TAS1R2 Q8TE23 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TAOK1 Q7L7X3 1/20 0.40
▸ TAOK3 Q9H2K8 1/20 0.40
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ TSHR P16473 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
SCHEMBL23978933 1.00 ALDH1A1 (0.47) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL30279438 1.00 ALDH1A1 (0.47) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL26109901 1.00 ALDH1A1 (0.47) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL30279423 0.92 USP2 (0.48) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL23978793 0.92 USP2 (0.48) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL26495265 0.92 USP2 (0.48) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL26495273 0.92 USP2 (0.48) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL23979034 0.90 EPHX2 (0.52) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL30279460 0.90 EPHX2 (0.52) ALDH1A1KCNA5EPHX2HTTTAS1R3
SCHEMBL23978602 0.90 EPHX2 (0.52) ALDH1A1KCNA5EPHX2HTTTAS1R3

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 5 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-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 399/4885KCNA5 2720/4885EPHX2 1037/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885KCNA5 2720/4885EPHX2 1037/4885

“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.