SCHEMBL5716795

SCHEMBL5716795

COc1cc(C=O)ccc1-c1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
RECQL P46063 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TTR P02766 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
EGFR P00533 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
TSHR P16473 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
SCHEMBL5716763 0.86 TTR (0.39) TTREGFRALDH1A1NPC1MAPT
SCHEMBL5716741 0.80 TTR (0.37) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL5716751 0.80 PDE4A (0.46) CYP2C19CCNE1CDK2RECQLPDE4A
SCHEMBL8126772 0.74 CYP2C19 (0.57) CYP2C19CCNE1CDK2RECQLPDE4A
SCHEMBL28043326 0.74 SLC40A1 (0.47) CYP2C19CCNE1CDK2PDE4APDE4B
SCHEMBL31160496 0.74 L3MBTL1 (0.46) CYP2C19CCNE1CDK2RECQLSLC40A1
SCHEMBL1778799 0.73 L3MBTL1 (0.44) CCNE1CDK2ALDH1A1MAPTHTT
SCHEMBL1773227 0.73 CYP2C19 (0.52) CYP2C19CCNE1CDK2RECQLSLC40A1
SCHEMBL30337641 0.71 CYP2C19 (0.56) CYP2C19CCNE1CDK2RECQLSLC40A1
SCHEMBL1772416 0.71 CYP2C19 (0.56) CYP2C19CCNE1CDK2RECQLSLC40A1

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 CYP2C19 2661/4885CCNE1 389/4885CDK2 30/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT CYP2C19 2661/4885CCNE1 389/4885CDK2 30/4885

“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.