SCHEMBL5716686

SCHEMBL5716686

COc1ccc2c(cc(C(=O)c3ccccc3OC)n2S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
ALDH3A1 P30838 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL5716718 0.90 HTT (0.48) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL5716679 0.87 HDAC3 (0.51) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL5716773 0.86 TUBB4A (0.52) MAPTLMNAKMT2AALDH1A1HDAC3
SCHEMBL7065741 0.82 LMNA (0.58) MAPTLMNAKMT2APOLBRECQL
SCHEMBL5716735 0.82 HDAC3 (0.59) MAPTLMNAPOLBALDH1A1HDAC3
SCHEMBL5716750 0.76 MAPT (0.50) MAPTLMNAKMT2APOLBRECQL
SCHEMBL29952005 0.76 CXCL8 (0.41) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL3530924 0.74 PPARG (0.58) ALDH1A1MTNR1B
SCHEMBL5716675 0.74 HDAC3 (0.43) MAPTLMNAKMT2APOLBRECQL
SCHEMBL7065481 0.74 ALDH1A1 (0.53) MAPTLMNAKMT2AALDH1A1HDAC3

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 MAPT 223/4885LMNA 3780/4885KMT2A 554/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MAPT 223/4885LMNA 3780/4885KMT2A 554/4885

“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.