SCHEMBL5554867

SCHEMBL5554867

COc1c(C#N)cc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.40
PPARG P37231 9/20 0.40
PPARD Q03181 7/20 0.40
CTSB P07858 1/20 0.40
TRPA1 O75762 1/20 0.38
APEX1 P27695 1/20 0.36
MMP2 P08253 1/20 0.36
AKR1B1 P15121 2/20 0.36
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL5553504 0.92 CTSL (0.40) PPARAPPARGPPARDAPEX1AKR1B1
SCHEMBL5552247 0.89 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5553514 0.88 PPARA (0.46) PPARAPPARGPPARDMMP2
SCHEMBL5552733 0.87 PPARA (0.41) PPARAPPARGPPARDAPEX1MMP2
SCHEMBL5553481 0.84 PPARA (0.48) PPARAPPARGPPARDAPEX1MMP2
SCHEMBL6496012 0.83 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL5549070 0.82 ACACB (0.37) PPARAPPARGPPARD
SCHEMBL5554858 0.79 PPARA (0.42) PPARAPPARGPPARDAPEX1
SCHEMBL5554894 0.79 PPARA (0.46) PPARAPPARGPPARDMMP2AKR1B1
SCHEMBL5549733 0.79 APEX1 (0.39) PPARAPPARGPPARDAPEX1AKR1B1

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.