SCHEMBL8245266

SCHEMBL8245266

O=C1COCC(Cc2ccc(Oc3ccc(/C=C4/SC(=S)NC4=O)cc3Cl)cc2)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.52
NAT1 P18440 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ADAMTS5 Q9UNA0 7/20 0.46
MMP3 P08254 2/20 0.44
MMP13 P45452 2/20 0.44
PDE4B Q07343 5/20 0.43
PDE3A Q14432 4/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
PIK3CG P48736 1/20 0.42
DYRK1A Q13627 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4924496 1.00 CISD1 (0.52) CISD1NAT1MGAMGAASI
SCHEMBL4924492 1.00 CISD1 (0.52) CISD1NAT1MGAMGAASI
SCHEMBL4933204 0.92 HPGD (0.49)
SCHEMBL4933200 0.92 HPGD (0.49)
SCHEMBL8252684 0.92 HPGD (0.49)
SCHEMBL4924394 0.90 ADAMTS5 (0.46) CISD1ADAMTS5MMP3MMP13PDE4B
SCHEMBL4924380 0.90 ADAMTS5 (0.46) CISD1ADAMTS5MMP3MMP13PDE4B
SCHEMBL4932390 0.89 ADAMTS5 (0.58) CISD1MGAMGAASIMGAM2
SCHEMBL4932391 0.89 ADAMTS5 (0.58) CISD1MGAMGAASIMGAM2
SCHEMBL4932398 0.89 MMP3 (0.56) NAT1ADAMTS5MMP3MMP13MEN1

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 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 CISD1 2304/4885NAT1 64/4885MGAM 3515/4885

“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.