SCHEMBL5716751

SCHEMBL5716751

COc1cc(-c2cc3cccnc3n2S(=O)(=O)c2ccccc2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.41
FGFR1 P11362 1/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ERN1 O75460 3/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
ALDH3A1 P30838 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5716677 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL28043326 0.80 SLC40A1 (0.47) PDE4APDE4BPDE4CPDE4DCYP2C19
SCHEMBL5716795 0.80 CYP2C19 (0.42) PDE4APDE4BPDE4CPDE4DCYP2C19
SCHEMBL8126772 0.79 CYP2C19 (0.57) PDE4APDE4BPDE4CPDE4DCYP2C19
SCHEMBL5716691 0.78 ALDH3A1 (0.41) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL30405579 0.74 CYP2C19 (0.51) CYP2C19RECQLCCNE1CDK2CA12
SCHEMBL1773227 0.73 CYP2C19 (0.52) CYP2C19RECQLCCNE1CDK2CA12
SCHEMBL30337641 0.71 CYP2C19 (0.56) CYP2C19RECQLCCNE1CDK2SLC40A1
SCHEMBL1772416 0.71 CYP2C19 (0.56) CYP2C19RECQLCCNE1CDK2SLC40A1
SCHEMBL5716750 0.70 MAPT (0.50) CYP2C19RECQLSLC40A1PTGDR2HTT

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
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT PDE4A 4318/4885PDE4B 4159/4885PDE4C 4459/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT PDE4A 4318/4885PDE4B 4159/4885PDE4C 4459/4885

“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.