SCHEMBL4927979

SCHEMBL4927979

CN1C(=O)COCC1Cc1ccc(Oc2ccc(C=C3SC(=S)NC3=O)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.50
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PIK3CG P48736 8/20 0.46
ADAMTS5 Q9UNA0 5/20 0.46
NAT1 P18440 1/20 0.46
PDE4B Q07343 2/20 0.44
PDE3A Q14432 2/20 0.44
PIK3C2A O00443 2/20 0.43
PIK3C2B O00750 2/20 0.43
PIK3CA P42336 2/20 0.43
PRKDC P78527 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 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
SCHEMBL4927974 1.00 CISD1 (0.50) CISD1MGAMGAASIMGAM2
SCHEMBL4930632 0.93 HPGD (0.47) MGAMGAASIMGAM2
SCHEMBL4930628 0.93 HPGD (0.47) MGAMGAASIMGAM2
SCHEMBL8252319 0.93 HPGD (0.47) MGAMGAASIMGAM2
SCHEMBL8246468 0.89 MMP3 (0.53) MGAMGAASIMGAM2PIK3CG
SCHEMBL4928465 0.89 MMP3 (0.53) MGAMGAASIMGAM2PIK3CG
SCHEMBL3757967 0.89 CISD1 (0.51) CISD1MGAMGAASIMGAM2
SCHEMBL3757966 0.89 CISD1 (0.51) CISD1MGAMGAASIMGAM2
SCHEMBL12997325 0.89 CISD1 (0.51) CISD1MGAMGAASIMGAM2
SCHEMBL4928473 0.85 ADAMTS5 (0.44) GAAPIK3CGADAMTS5

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 4 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
WO-2006126074-A2 HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2006-11-30 WO 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 CISD1 2304/4885MGAM 3515/4885GAA 515/4885

“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.