SCHEMBL4332251

SCHEMBL4332251

CC(C)OC(Cc1cn(CC#Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.47
PTGES O14684 2/20 0.41
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
FFAR1 O14842 1/20 0.36
PTPN1 P18031 1/20 0.36
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ICMT O60725 1/20 0.35
MCL1 Q07820 1/20 0.35
GRM5 P41594 1/20 0.35
CREBBP Q92793 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
SCHEMBL4336056 0.91 ADAM17 (0.46) ADAM17PTGESPPARGPPARAPPARD
SCHEMBL4339658 0.87 ADAM17 (0.42) ADAM17PTGESMAPTALDH1A1RECQL
SCHEMBL13819344 0.84 ADAM17 (0.55) ADAM17PPARGPPARAMAPTALDH1A1
SCHEMBL4333067 0.83 ADAM17 (0.45) ADAM17PPARGPPARAMAPTALDH1A1
SCHEMBL4336953 0.82 ADAM17 (0.46) ADAM17MAPTALDH1A1RECQL
SCHEMBL4335595 0.80 MAPT (0.45) ADAM17MAPTALDH1A1TP53THRB
SCHEMBL13819823 0.79 HTR6 (0.54) ADAM17PPARGPPARAPPARDMAPT
SCHEMBL4335269 0.78 MCL1 (0.41) ADAM17PPARAMAPTALDH1A1RECQL
SCHEMBL4335099 0.76 PTGES (0.54) PTGESPPARGPPARAPPARDFFAR1
SCHEMBL4335807 0.75 ADAM17 (0.40) ADAM17PPARGPPARAPPARDMAPT

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
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 ADAM17 4781/4885PTGES 3685/4885PPARG 379/4885

“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.