SCHEMBL4932398

SCHEMBL4932398

O=C1COCC(Cc2ccc(Oc3ccc(/C=C4\SC(=S)NC4=O)cc3)cc2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.56
MMP13 P45452 3/20 0.56
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
MYC P01106 1/20 0.50
MAX P61244 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CLK1 P49759 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CTSD P07339 3/20 0.46

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
SCHEMBL4932406 1.00 MMP3 (0.56) MMP3MMP13RAB9ANPC1MYC
SCHEMBL4928339 0.92 HPGD (0.53) RAB9ANPC1POLB
SCHEMBL8253280 0.92 HPGD (0.53) RAB9ANPC1POLB
SCHEMBL4928344 0.92 HPGD (0.53) RAB9ANPC1POLB
SCHEMBL8245266 0.89 CISD1 (0.52) MMP3MMP13DYRK1AMEN1POLB
SCHEMBL4924380 0.89 ADAMTS5 (0.46) MMP3MMP13DYRK1AMEN1POLB
SCHEMBL4924394 0.89 ADAMTS5 (0.46) MMP3MMP13DYRK1AMEN1POLB
SCHEMBL4924496 0.89 CISD1 (0.52) MMP3MMP13DYRK1AMEN1POLB
SCHEMBL4924492 0.89 CISD1 (0.52) MMP3MMP13DYRK1AMEN1POLB
SCHEMBL4932390 0.88 ADAMTS5 (0.58) CLK1DYRK1AMEN1KMT2AALDH1A1

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 5 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

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 MMP3 4689/4885MMP13 4586/4885RAB9A 1531/4885

“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.