SCHEMBL5640436

SCHEMBL5640436

COC(=O)Cc1csc2c(O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 4/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
GAA P10253 2/20 0.37
EGFR P00533 2/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL5639741 0.84 L3MBTL1 (0.50) KDM4EALDH1A1HPGDRPS6KB2GAA
SCHEMBL1470493 0.77 SMN1; SMN2 (0.58) CA1CA2TP53MAPTPOLB
SCHEMBL14564348 0.77 KDM4E (0.41) KDM4EALDH1A1GLAHPGDRPS6KB2
SCHEMBL4272867 0.76 KDM4E (0.50) KDM4EALDH1A1GLAHPGDCA12
SCHEMBL5447789 0.74 KDM4E (0.40) KDM4EALDH1A1GLAHPGDRPS6KB2
SCHEMBL68310 0.73 KDM4E (0.56) KDM4EALDH1A1HPGDEGFRMAPT
SCHEMBL3080403 0.73 LMNA (0.44) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL25285645 0.73 IAPP (0.51) KDM4EALDH1A1GLAHPGDCA12
SCHEMBL73376 0.72 L3MBTL1 (0.47) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL30311288 0.72 AKR1B1 (0.61) KDM4EALDH1A1CA12CA1CA2

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 7 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
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO 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 KDM4E 2473/4885ALDH1A1 1771/4885GLA 686/4885

“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.