SCHEMBL27220646

SCHEMBL27220646

COc1ccncc1CNC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ PPARD Q03181 1/20 0.56
▸ TRPV1 Q8NER1 2/20 0.53
▸ EPHX2 P34913 5/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ GAA P10253 1/20 0.50
▸ ROCK2 O75116 4/20 0.49
▸ ABL1 P00519 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC1 Q13547 1/20 0.47
▸ HTT P42858 1/20 0.46

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
SCHEMBL27220662 0.86 TRPV1 (0.55) PPARGPPARAPPARDTRPV1EPHX2
SCHEMBL27188815 0.85 ROCK2 (0.50) PPARGPPARAPPARDROCK2ABL1
SCHEMBL29896178 0.85 ROCK2 (0.50) PPARGPPARAPPARDROCK2ABL1
SCHEMBL29896158 0.82 POLB (0.47) PPARGPPARAPPARDEPHX2ROCK2
SCHEMBL27188891 0.82 POLB (0.47) PPARGPPARAPPARDEPHX2ROCK2
SCHEMBL27188864 0.81 EPHX2 (0.52) PPARGPPARAPPARDTRPV1EPHX2
SCHEMBL29896128 0.81 EPHX2 (0.52) PPARGPPARAPPARDTRPV1EPHX2
SCHEMBL27188855 0.79 PPARD (0.59) PPARGPPARAPPARDEPHX2ROCK2
SCHEMBL29896181 0.79 PPARD (0.59) PPARGPPARAPPARDEPHX2ROCK2
SCHEMBL29538299 0.78 PPARA (0.55) PPARGPPARAPPARDTRPV1EPHX2

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
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 — — EP claimed
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 — — EP disclosed
US-11952344-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-09 — — US disclosed
US-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-27 — — 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-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2A, GRIN2B PPARG 3022/4885PPARA 2690/4885PPARD 2597/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B PPARG 3022/4885PPARA 2690/4885PPARD 2597/4885

“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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