SCHEMBL5640845

SCHEMBL5640845

COc1cc(OCC(=O)O)c(C)cc1SCc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.51
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.51
TP53 P04637 6/20 0.49
THRB P10828 2/20 0.49
CEPT1 Q9Y6K0 3/20 0.47
CETP P11597 3/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HPSE Q9Y251 3/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL5640932 0.93 TP53 (0.51) TP53THRBCEPT1CETPMAPT
SCHEMBL5641009 0.91 PPARD (0.49) PPARDPPARAPPARGTP53THRB
SCHEMBL5638711 0.87 PPARD (0.49) PPARDPPARAPPARGTP53THRB
SCHEMBL5637864 0.84 MAPT (0.48) PPARDPPARAPPARGTP53THRB
SCHEMBL3809616 0.84 PPARD (0.65) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL5639080 0.80 KDR (0.49) PPARDPPARAPPARGTP53THRB
SCHEMBL5512886 0.76 PPARD (0.64) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL5510490 0.75 PPARD (0.54) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL4110321 0.74 PPARD (0.82) PPARDPPARAPPARG
SCHEMBL5516003 0.73 PPARD (0.61) PPARDPPARAPPARGMAPTSMN1; SMN2

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-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 2/4885

“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.