SCHEMBL22209082

SCHEMBL22209082

CNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.70
▸ PPARG P37231 2/20 0.70
▸ FABP2 P12104 1/20 0.70
▸ SLC22A12 Q96S37 1/20 0.70
▸ CYP1A2 P05177 5/20 0.62
▸ CYP3A4 P08684 5/20 0.62
▸ CYP2C19 P33261 4/20 0.62
▸ CNR1 P21554 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ CYP2C9 P11712 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ USP2 O75604 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ABCB11 O95342 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ HTR2A P28223 2/20 0.62
▸ PMP22 Q01453 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62

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
SCHEMBL12573663 0.88 PPARA (0.70) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL22221537 0.87 PPARA (0.68) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL22221524 0.87 PPARA (0.68) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL22221587 0.84 PPARA (0.65) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL11260925 0.84 PPARA (0.65) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL22221427 0.84 PPARA (0.65) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL22221664 0.84 CNR1 (0.65) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL4755987 0.83 PPARA (0.72) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL822492 0.83 PPARA (0.77) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL13984052 0.83 PPARA (0.77) PPARAPPARGFABP2SLC22A12CYP1A2

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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 — — US disclosed
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 — — US disclosed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 — — WO disclosed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 — — 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 (1 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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MCL1 PPARA 1460/4885PPARG 1337/4885FABP2 2215/4885

“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.

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