SCHEMBL3756435

SCHEMBL3756435

CN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3\SC(=S)NC3=O)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE3A Q14432 5/20 0.47
PIK3CG P48736 3/20 0.46
CISD1 Q9NZ45 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
DYRK1A Q13627 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
DYRK2 Q92630 1/20 0.43
PIM2 Q9P1W9 1/20 0.43

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
SCHEMBL3756438 1.00 ADAMTS5 (0.47) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL12997318 1.00 ADAMTS5 (0.47) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL3758583 0.93 HPGD (0.46) PDE4BCISD1KMT2ALMNAPIM1
SCHEMBL3758581 0.93 HPGD (0.46) PDE4BCISD1KMT2ALMNAPIM1
SCHEMBL12997326 0.90 PDE4B (0.48) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL3757966 0.90 CISD1 (0.51) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL12997325 0.90 CISD1 (0.51) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL3757967 0.90 CISD1 (0.51) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL12997354 0.90 ADAMTS5 (0.46) ADAMTS5PDE4BPDE3APIK3CGCISD1
SCHEMBL3765526 0.89 MMP3 (0.55) ADAMTS5PIK3CGMEN1ALDH1A1MAPT

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-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US claimed
EP-1868990-A2 NOVEL HETEROCYCLIC DERIVATIVES Orchid Research Laboratories Limited (IN) 2007-12-26 EP claimed
WO-2006109146-A2 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-10-19 WO claimed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
EP-1868990-A2 NOVEL HETEROCYCLIC DERIVATIVES Orchid Research Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006109146-A2 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-10-19 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 ADAMTS5 1648/4885PDE4B 394/4885PDE3A 378/4885

“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.