SCHEMBL4138808

SCHEMBL4138808

COC(=O)c1cc(-c2ccc(C(C)=C3SC(Nc4ccc(C(C)C(=O)O)cc4)=NC3=O)c(F)c2)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
PTGS2 P35354 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL4138804 0.81 PTGS2 (0.32) APPCYP2C19AKR1C3AKR1C2PTGS2
SCHEMBL4136975 0.72 MEN1 (0.33) KDM4EALDH1A1MAPTHPGD
SCHEMBL4136968 0.72 MEN1 (0.33) KDM4EALDH1A1MAPTHPGD
SCHEMBL4120886 0.71 HPGD (0.34) HPGD
SCHEMBL4120885 0.71 HPGD (0.34) HPGD
SCHEMBL4138228 0.70 TDP1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL4138226 0.70 TDP1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL4634371 0.66 TDP1 (0.35) KDM4EALDH1A1MAPTHPGD
SCHEMBL21798893 0.65 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL7529190 0.64 KDM4E (0.66) CYP2C19KDM4EALDH1A1GAAMAPT

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-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 US claimed
US-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2009-04-02 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-20090088432-A1 Thiazolinones and Oxazolinones and their Use as Ptp1b Inhibitors PTPRF, PTPA, PTPRJ APP 2259/4885CYP2C19 354/4885AKR1C3 2564/4885

“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.