SCHEMBL4928465

SCHEMBL4928465

CN1C(=O)COCC1Cc1ccc(Oc2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.53
MMP13 P45452 2/20 0.53
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
PIK3CG P48736 4/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
PTGS2 P35354 1/20 0.48
CTSD P07339 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL8246468 1.00 MMP3 (0.53) MMP3MMP13RAB9ANPC1MYC
SCHEMBL8251566 0.92 HPGD (0.50) RAB9ANPC1ADAMTS5PTGS2POLB
SCHEMBL4930619 0.92 HPGD (0.50) RAB9ANPC1ADAMTS5PTGS2POLB
SCHEMBL4930624 0.92 HPGD (0.50) RAB9ANPC1ADAMTS5PTGS2POLB
SCHEMBL4927979 0.89 CISD1 (0.50) PIK3CGADAMTS5MGAMGAASI
SCHEMBL4927974 0.89 CISD1 (0.50) PIK3CGADAMTS5MGAMGAASI
SCHEMBL4928470 0.87 ADAMTS5 (0.44) MMP3MMP13RAB9ANPC1PIK3CG
SCHEMBL4928473 0.87 ADAMTS5 (0.44) MMP3MMP13RAB9ANPC1PIK3CG
SCHEMBL3765526 0.87 MMP3 (0.55) MMP3MMP13RAB9ANPC1MYC
SCHEMBL3765524 0.87 MMP3 (0.55) MMP3MMP13RAB9ANPC1MYC

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 3 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
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.