SCHEMBL4932880

SCHEMBL4932880

O=C1COCC(Cc2ccc(Oc3ccc(/C=C4\SC(=S)NC4=O)cc3C(F)(F)F)cc2)N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.46
CISD1 Q9NZ45 3/20 0.42
PIK3CG P48736 2/20 0.42
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42
HPGD P15428 2/20 0.42
PDE4B Q07343 4/20 0.42
PDE3A Q14432 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ESRRA P11474 1/20 0.41
DYRK1A Q13627 2/20 0.40

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
SCHEMBL4932886 1.00 ADAMTS5 (0.46) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL4936377 0.93 HPGD (0.49) HPGDESRRA
SCHEMBL4929577 0.93 HPGD (0.49) HPGDESRRA
SCHEMBL4924380 0.90 ADAMTS5 (0.46) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL4924394 0.90 ADAMTS5 (0.46) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL8245266 0.88 CISD1 (0.52) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL4924492 0.88 CISD1 (0.52) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL4924496 0.88 CISD1 (0.52) ADAMTS5CISD1PIK3CGMMP3MMP13
SCHEMBL4932390 0.87 ADAMTS5 (0.58) ADAMTS5CISD1PDE4BPDE3AMEN1
SCHEMBL4932391 0.87 ADAMTS5 (0.58) ADAMTS5CISD1PDE4BPDE3AMEN1

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 6 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
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
US-20080267888-A1 Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-10-30 US disclosed
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
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 3198/4885CISD1 2304/4885PIK3CG 4132/4885

“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.