SCHEMBL5943967

SCHEMBL5943967

COc1ccc(OC)c(S([NH])(=O)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
GAA P10253 3/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL9705968 0.85 GAA (0.54) L3MBTL1GAACA12CA1CA2
SCHEMBL5960683 0.82 SMN1; SMN2 (0.67) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL7325142 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL29406781 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL1137736 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL6039243 0.81 KMT2A (0.60) L3MBTL1GAAKMT2ASMN1; SMN2MAPK1
SCHEMBL29482636 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL8194522 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL407215 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT
SCHEMBL30965843 0.81 L3MBTL1 (0.64) L3MBTL1GAAKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 L3MBTL1 2666/4885GAA 3199/4885KMT2A 4190/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 L3MBTL1 2451/4885GAA 152/4885KMT2A 100/4885

“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.