SCHEMBL22221663

SCHEMBL22221663

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.59
▸ PPARG P37231 3/20 0.59
▸ FABP2 P12104 2/20 0.59
▸ SLC22A12 Q96S37 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ USP2 O75604 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ CYP1A2 P05177 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ABCB11 O95342 1/20 0.53

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
SCHEMBL22221670 0.87 PPARA (0.62) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584243 0.87 PPARA (0.59) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584395 0.86 PPARA (0.60) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584385 0.86 PPARA (0.54) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL10970577 0.85 PPARA (0.59) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL12707625 0.85 PPARA (0.53) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584416 0.84 PPARA (0.52) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL22221440 0.83 PPARA (0.56) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584689 0.83 PPARA (0.56) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL13984065 0.82 PPARA (0.53) PPARAPPARGFABP2SLC22A12SMN1; SMN2

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 2 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
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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