SCHEMBL4932391

SCHEMBL4932391

COc1cc(C=C2SC(=S)NC2=O)ccc1Oc1ccc(CC2COCC(=O)N2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.58
PDE4B Q07343 7/20 0.56
PDE3A Q14432 5/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CISD1 Q9NZ45 3/20 0.54
DYRK1A Q13627 3/20 0.52
CLK2 P49760 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49

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
SCHEMBL4932390 1.00 ADAMTS5 (0.58) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4924394 0.89 ADAMTS5 (0.46) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4924492 0.89 CISD1 (0.52) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL8245266 0.89 CISD1 (0.52) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4924380 0.89 ADAMTS5 (0.46) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4924496 0.89 CISD1 (0.52) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4932398 0.88 MMP3 (0.56) ADAMTS5MEN1KMT2AALDH1A1MAPT
SCHEMBL4932406 0.88 MMP3 (0.56) ADAMTS5MEN1KMT2AALDH1A1MAPT
SCHEMBL4932880 0.87 ADAMTS5 (0.46) ADAMTS5PDE4BPDE3AMEN1KMT2A
SCHEMBL4932886 0.87 ADAMTS5 (0.46) ADAMTS5PDE4BPDE3AMEN1KMT2A

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-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US claimed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 WO claimed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 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-20080267888-A1 Heterocyclic Derivatives CYP11B2, MAPT, UGT1A1 ADAMTS5 3198/4885PDE4B 1314/4885PDE3A 979/4885

“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.