SCHEMBL14213770

SCHEMBL14213770

COc1ccc([C@H](COc2ccc(CC3SC(=O)CC3=O)cc2)OC(=O)CCCC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.40
PPARG P37231 3/20 0.38
PDE4B Q07343 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LTB4R Q15722 1/20 0.34
MPC2 O95563 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGFR P43088 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL14213617 1.00 FFAR1 (0.40) FFAR1PPARGPDE4BFFAR4LTB4R
SCHEMBL14213626 1.00 FFAR1 (0.40) FFAR1PPARGPDE4BFFAR4LTB4R
SCHEMBL14213666 0.91 PPARG (0.38) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL14733582 0.91 PPARG (0.49) FFAR1PPARGFFAR4MPC2CYP2C8
SCHEMBL14733581 0.91 PPARG (0.49) FFAR1PPARGFFAR4MPC2CYP2C8
SCHEMBL14733583 0.91 PPARG (0.49) FFAR1PPARGFFAR4MPC2CYP2C8
SCHEMBL6928118 0.86 FFAR1 (0.57) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6929644 0.86 FFAR1 (0.57) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL14213735 0.85 PPARG (0.50) FFAR1PPARGFFAR4MPC2CYP2C8
SCHEMBL14213624 0.85 PPARG (0.50) FFAR1PPARGFFAR4MPC2CYP2C8

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-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2012-12-06 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-20120309975-A1 PPAR-SPARING THIAZOLIDINEDIONE SALTS FOR THE TREATMENT OF METABOLIC DISEASES PPARD, PPARG, PPARA FFAR1 51/4885PPARG 2/4885PDE4B 922/4885

“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.