SCHEMBL7066129

SCHEMBL7066129

O=Cc1cc(OCc2ccccc2)ccc1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
BID P55957 1/20 0.48
MCL1 Q07820 1/20 0.48
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 2/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
ALOX5 P09917 1/20 0.40
HTR6 P50406 1/20 0.40
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
TOP1 P11387 1/20 0.39
CREBBP Q92793 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7061811 0.85 HTR6 (0.48) CA12CA9CA2HDAC1HDAC6
SCHEMBL5716839 0.80 CA12 (0.55) CA12CA9CA2HDAC1HDAC6
SCHEMBL2428303 0.76 MEN1 (0.48) BCL2BIDMCL1CA12CA9
SCHEMBL3397918 0.74 CA12 (0.51) CA12CA9CA2HDAC1HDAC6
SCHEMBL25454953 0.73 HDAC1 (0.45) BCL2BIDMCL1CA12CA9
SCHEMBL2433007 0.72 MEN1 (0.64) BCL2BIDMCL1CA12CA9
SCHEMBL4234276 0.72 MEN1 (0.54) BCL2BIDMCL1CA12CA9
SCHEMBL1648301 0.72 BACE1 (0.58) ALOX5MAOAMAOBTOP1
SCHEMBL2879677 0.71 HTR6 (0.55) CA12CA9CA2HDAC1HDAC6
SCHEMBL2886894 0.71 HTR6 (0.63) HDAC1HDAC6RAB9AMEN1NPC1

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 BCL2 262/4885BID 55/4885MCL1 11/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT BCL2 262/4885BID 55/4885MCL1 11/4885

“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.