SCHEMBL20644452

SCHEMBL20644452

CC(C)c1ccc(-n2cnn(CC(F)(F)F)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 15/20 0.49
▸ PPARA Q07869 15/20 0.49
▸ PPARG P37231 11/20 0.49
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MGLL Q99685 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL25160253 0.87 PPARD (0.53) PPARDPPARAPPARGMEN1NPC1
SCHEMBL25160796 0.85 PPARD (0.53) PPARDPPARAPPARGMEN1NPC1
SCHEMBL25160757 0.82 PPARG (0.50) PPARDPPARAPPARGMEN1NPC1
SCHEMBL9123305 0.78 PPARD (0.38) PPARDPPARAPPARG
SCHEMBL20639883 0.75 PPARD (0.41) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL9039853 0.75 MAPT (0.55) PPARDPPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL9118588 0.75 METAP2 (0.42) PPARDPPARAALDH1A1SMN1; SMN2MAPT
SCHEMBL9384752 0.75 MAPT (0.58) PPARDPPARAPPARGALDH1A1RAB9A
SCHEMBL20644484 0.74 ALDH1A1 (0.48) PPARDPPARAPPARGMEN1NPC1
SCHEMBL20644479 0.73 DGAT1 (0.48) PPARDPPARAPPARGMEN1NPC1

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 — — US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 — — 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 (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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PPARD 2769/4885PPARA 3103/4885PPARG 2205/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO PPARD 2769/4885PPARA 3103/4885PPARG 2205/4885

“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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