SCHEMBL5553508

SCHEMBL5553508

CCC(Cc1cc2c(c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c1)OCC2)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 20/20 0.64
▸ PPARG P37231 17/20 0.64
▸ PPARD Q03181 16/20 0.64
▸ PSEN1 P49768 2/20 0.49
▸ PSEN2 P49810 2/20 0.49
▸ APH1B Q8WW43 2/20 0.49
▸ NCSTN Q92542 2/20 0.49
▸ APH1A Q96BI3 2/20 0.49
▸ PSENEN Q9NZ42 2/20 0.49
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL5553531 0.88 PPARA (0.49) PPARAPPARGPPARDEPHX2
SCHEMBL5549703 0.86 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL5549695 0.81 PPARA (0.46) PPARAPPARGPPARDEPHX2
SCHEMBL23752211 0.78 PPARA (1.00) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL18644833 0.78 PPARA (1.00) PPARAPPARGPPARDPSEN1PSEN2
SCHEMBL5552702 0.76 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL16553231 0.76 PPARD (1.00) PPARAPPARGPPARD
SCHEMBL3413893 0.76 PPARD (0.59) PPARAPPARGPPARDEPHX2
SCHEMBL22323851 0.76 PPARD (1.00) PPARAPPARGPPARD
SCHEMBL29422569 0.76 PPARD (1.00) PPARAPPARGPPARD

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-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 — — EP 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-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 PPARA 602/4885PPARG 620/4885PPARD 558/4885

“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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