SCHEMBL4120873

SCHEMBL4120873

COc1ccc2cc(C(C)=C3SC(Nc4ccc(CC(=O)O)cc4)=NC3=O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PDE4B Q07343 4/20 0.42
PDE4D Q08499 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4120866 1.00 PTGS1 (0.48) PTGS1AKR1C3AKR1C2KDM4EPOLB
SCHEMBL4634520 0.82 NR1H4 (0.51) PDE4BPDE4DNR1H4
SCHEMBL4634512 0.82 NR1H4 (0.51) PDE4BPDE4DNR1H4
SCHEMBL4134807 0.80 NR1H4 (0.50) PTGS1PDE4BPDE4DNR1H4RORC
SCHEMBL4134811 0.80 NR1H4 (0.50) PTGS1PDE4BPDE4DNR1H4RORC
SCHEMBL4133591 0.79 ALOX5 (0.50) PTGS1AKR1C3AKR1C2KDM4EPOLB
SCHEMBL4133593 0.79 ALOX5 (0.50) PTGS1AKR1C3AKR1C2KDM4EPOLB
SCHEMBL4127967 0.76 CTDSP1 (0.42) KDM4EPOLBPDE4BPDE4DL3MBTL1
SCHEMBL4127965 0.76 CTDSP1 (0.42) KDM4EPOLBPDE4BPDE4DL3MBTL1
SCHEMBL4134008 0.75 KDM4E (0.43) KDM4EPDE4BPDE4DMAPTPLAU

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 4 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
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO 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 PTGS1 946/4885AKR1C3 2564/4885AKR1C2 1688/4885

“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.