SCHEMBL5716677

SCHEMBL5716677

COc1cnc2c(c1)cc(-c1ccc(C=O)c(OC)c1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
FGFR1 P11362 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAK O14976 1/20 0.37
MAPT P10636 2/20 0.37
NOD1 Q9Y239 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
NOD2 Q9HC29 1/20 0.37
HTR6 P50406 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ERN1 O75460 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH3A1 P30838 3/20 0.35

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
SCHEMBL5716751 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL5716763 0.81 TTR (0.39) ALDH1A1MAPTRAB9ATSHRHTR6
SCHEMBL1683406 0.77 HTR6 (0.46) ALDH1A1MAPTNOD1RAB9ATSHR
SCHEMBL5716691 0.77 ALDH3A1 (0.41) PDE4APDE4BPDE4CPDE4DFGFR1
SCHEMBL22494274 0.74 HTR6 (0.44) ALDH1A1MAPTNOD1RAB9ATSHR
SCHEMBL5716675 0.71 HDAC3 (0.43) ALDH1A1MAPTHTR6POLBL3MBTL1
SCHEMBL28043326 0.70 SLC40A1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5716689 0.70 TUBB4A (0.51) ALDH1A1MAPTCA12CA2CA9
SCHEMBL5716716 0.70 HTT (0.49) ALDH1A1MAPTRAB9AHTR6POLB
SCHEMBL19349344 0.69 GABRA1 (0.38) PDE4APDE4BPDE4CPDE4DHTR6

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.