SCHEMBL5716692

SCHEMBL5716692

COc1ccc(C(=O)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 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
SCHEMBL5716750 0.90 MAPT (0.50) HTTALDH1A1LMNAMAPTPTGDR2
SCHEMBL5716716 0.88 HTT (0.49) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL7066962 0.85 HDAC3 (0.54) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL5716793 0.84 HDAC3 (0.55) ALDH1A1LMNAMAPTPTGDR2HDAC3
SCHEMBL5716825 0.82 TUBB4A (0.53) ALDH1A1LMNAMAPTPTGDR2HDAC3
SCHEMBL5716752 0.81 HDAC3 (0.49) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL5716675 0.80 HDAC3 (0.43) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL14053495 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPTGDR2HDAC3
SCHEMBL5716718 0.78 HTT (0.48) HTTALDH1A1LMNAMAPTHDAC3
SCHEMBL1772350 0.77 LMNA (0.53) HTTALDH1A1LMNAMAPTPTGDR2

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 5 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
EP-1442015-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS Baxter Healthcare SA (CH) 2004-08-04 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
WO-2003037861-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS BAXTER HEALTHCARE SA (CH) 2003-05-08 WO 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 HTT 1342/4885ALDH1A1 789/4885LMNA 3780/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTT 1342/4885ALDH1A1 789/4885LMNA 3780/4885

“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.