SCHEMBL18549299

SCHEMBL18549299

CC(C)(C)OC(=O)N[C@H](/C=C/C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.45
PPARG P37231 5/20 0.45
PPARD Q03181 2/20 0.43
KIF11 P52732 6/20 0.43
CTSK P43235 4/20 0.41
ADORA1 P30542 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 1/20 0.40
ACE P12821 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
SCHEMBL18549277 1.00 PPARA (0.45) PPARAPPARGPPARDKIF11CTSK
SCHEMBL30519129 0.88 ADORA1 (0.46) PPARAPPARGPPARDKIF11CTSK
SCHEMBL30519267 0.88 ADORA1 (0.46) PPARAPPARGPPARDKIF11CTSK
SCHEMBL906631 0.87 CTSK (0.48) PPARAPPARGPPARDKIF11CTSK
SCHEMBL5276867 0.87 CTSK (0.48) PPARAPPARGPPARDKIF11CTSK
SCHEMBL2947993 0.83 PPARA (0.46) PPARAPPARGPPARDCTSKATM
SCHEMBL2947991 0.83 PPARA (0.46) PPARAPPARGPPARDCTSKATM
SCHEMBL2675628 0.83 PPARA (0.46) PPARAPPARGPPARDCTSKATM
SCHEMBL2675632 0.83 PPARA (0.46) PPARAPPARGPPARDCTSKATM
SCHEMBL21084961 0.82 PPARA (0.61) PPARAPPARGPPARDKIF11ADORA1

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-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-08 US disclosed
EP-3107919-B1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIV FLORIDA (US) 2021-01-27 EP disclosed
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 US disclosed
US-20190241611-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-08-08 US disclosed
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-02 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-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment NFATC1, MCL1, ICOS PPARA 2302/4885PPARG 1415/4885PPARD 3061/4885
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS PPARA 2302/4885PPARG 1415/4885PPARD 3061/4885
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS PPARA 2302/4885PPARG 1415/4885PPARD 3061/4885
US-20190241611-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS PPARA 2302/4885PPARG 1415/4885PPARD 3061/4885

“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.