SCHEMBL6726299

SCHEMBL6726299

CCCOc1ccc(-c2cccc(C(C)C(=O)O)c2)c(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.42
FAAH O00519 6/20 0.42
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39

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
SCHEMBL3413165 0.81 SYK (0.37)
SCHEMBL6726294 0.78 PPARG (0.46) PTGS2
SCHEMBL4396277 0.70 PTGS1 (0.48) PTGS2FAAH
SCHEMBL29800023 0.70 PTGS1 (0.48) PTGS2FAAH
SCHEMBL3418744 0.69 MTNR1A (0.39)
SCHEMBL3667215 0.67 AKR1C3 (0.52) PTGS2AKR1C3AKR1C2
SCHEMBL3673447 0.66 PTGS1 (0.63) PTGS2AKR1C3AKR1C2
SCHEMBL24031605 0.64 MAPK1 (0.47)
SCHEMBL8882999 0.64 ATR (0.45)
SCHEMBL566467 0.64 CREBBP (0.60)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 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 (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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR PTGS2 3150/4885FAAH 2613/4885AKR1C3 230/4885

“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.