SCHEMBL4334577

SCHEMBL4334577

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCc1cnc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
TGM2 P21980 4/20 0.38
TRPV1 Q8NER1 3/20 0.36
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
FAAH O00519 2/20 0.35
CYP3A4 P08684 1/20 0.35
TACR3 P29371 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
SCHEMBL4332216 0.87 CYSLTR1 (0.43) PPARGPPARAPPARD
SCHEMBL4333264 0.86 RXFP1 (0.38) SCN9APPARGPPARAPPARDKMT2A
SCHEMBL4347121 0.85 RECQL (0.38) PPARGPPARAPPARDKMT2AMEN1
SCHEMBL4328269 0.85 SCN9A (0.48) SCN9APPARGPPARAPPARDTGM2
SCHEMBL4329917 0.83 DNMT1 (0.40) PPARGPPARAPPARDKMT2AMEN1
SCHEMBL4336608 0.82 PPARG (0.42) PPARGPPARAPPARDTRPV1KMT2A
SCHEMBL4327205 0.82 ATM (0.42) PPARGPPARAPPARDKMT2AMEN1
SCHEMBL4336600 0.81 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL4347011 0.81 SMN1; SMN2 (0.39) PPARGPPARAKMT2AMEN1
SCHEMBL4346189 0.80 CYP1A2 (0.47) PPARGPPARAPPARDTRPV1KMT2A

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SCN9A 789/4885PPARG 379/4885PPARA 339/4885

“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.