SCHEMBL6447702

SCHEMBL6447702

COC(=O)c1cc(CC2SC(=O)NC2=O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTPN1 P18031 2/20 0.52
MAOA P21397 2/20 0.51
CISD1 Q9NZ45 2/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 1/20 0.50
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
PPARG P37231 8/20 0.48
MPC2 O95563 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2C9 P11712 2/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
FFAR1 O14842 2/20 0.45

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
SCHEMBL7455356 0.86 PTPN1 (0.63) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL8181256 0.84 MAPT (0.55) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL14262536 0.81 PTPN1 (0.68) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL212000 0.80 PPARG (0.62) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL8182157 0.80 MAPT (0.62) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL14262660 0.78 PTPN1 (0.68) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL5707014 0.78 PTPN1 (0.64) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL9832320 0.76 MAPT (0.66) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL8182679 0.75 PTPN1 (0.79) ALDH1A1NPSR1PTPN1MAOACISD1
SCHEMBL3974261 0.74 PPARG (0.55) ALDH1A1NPSR1MAOACISD1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 WO 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA ALDH1A1 585/4885NPSR1 526/4885PTPN1 756/4885

“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.