SCHEMBL7063873

SCHEMBL7063873

COc1cc(OC)c(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HDAC3 O15379 5/20 0.50
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
NOD2 Q9HC29 4/20 0.50
NOD1 Q9Y239 4/20 0.50
CCR2 P41597 1/20 0.47
ALOX5 P09917 1/20 0.45
BCL2 P10415 1/20 0.43
BID P55957 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
SCHEMBL7065222 0.92 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7065741 0.89 LMNA (0.58) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7065133 0.89 NOD2 (0.56) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7067521 0.88 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7063612 0.88 HDAC3 (0.54) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7066962 0.88 HDAC3 (0.54) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7067783 0.85 HDAC3 (0.57) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7065481 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7066118 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL7606818 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 789/4885LMNA 3780/4885MAPT 223/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT ALDH1A1 789/4885LMNA 3780/4885MAPT 223/4885

“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.