SCHEMBL4137321

SCHEMBL4137321

O=C(O)Cc1ccc(NC2=NC(=O)C(=Cc3cc4ccccc4cc3O)S2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.41
IKBKB O14920 1/20 0.39
PDE4B Q07343 7/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
PDE4D Q08499 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL4137317 1.00 NR1H4 (0.41) NR1H4IKBKBPDE4BGRIN1GRIN2B
SCHEMBL4125733 0.85 PTP4A3 (0.50) IKBKBMEN1KMT2AALDH1A1TDP1
SCHEMBL4125736 0.85 PTP4A3 (0.50) IKBKBMEN1KMT2AALDH1A1TDP1
SCHEMBL4140267 0.84 ALOX5 (0.47) NR1H4IKBKBPDE4BMEN1KMT2A
SCHEMBL4140263 0.84 ALOX5 (0.47) NR1H4IKBKBPDE4BMEN1KMT2A
SCHEMBL4128926 0.84 S1PR1 (0.43) NR1H4IKBKBPDE4BMEN1MAPT
SCHEMBL4128924 0.84 S1PR1 (0.43) NR1H4IKBKBPDE4BMEN1MAPT
SCHEMBL4127754 0.84 KMT2A (0.46) NR1H4IKBKBPDE4BMEN1MAPT
SCHEMBL4127749 0.84 KMT2A (0.46) NR1H4IKBKBPDE4BMEN1MAPT
SCHEMBL4133860 0.82 DUSP22 (0.49) PDE4BGRIN1GRIN2BALDH1A1RAB9A

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 NR1H4 2884/4885IKBKB 500/4885PDE4B 161/4885

“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.