SCHEMBL209732

SCHEMBL209732

CS(=O)(=O)c1ccc(NCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
CA1 P00915 8/20 0.50
CA2 P00918 8/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
TSHR P16473 1/20 0.50
GHSR Q92847 4/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4418236 0.85 CA1 (0.59) KMT2ACA1CA2ALDH1A1POLB
SCHEMBL11221049 0.83 CA1 (0.54) CA1CA2CA9CA12GHSR
SCHEMBL27726116 0.82 TSHR (0.72) KMT2AEPHX2NR1H4CA1CA2
SCHEMBL13658737 0.82 NR1H4 (0.74) KMT2AEPHX2NR1H4CA1CA2
SCHEMBL11413950 0.81 ALDH1A1 (0.69) KMT2ACA1CA2TSHRALDH1A1
SCHEMBL11414793 0.81 FFAR1 (0.67) KMT2ACA1CA2CA9CA12
SCHEMBL16550429 0.81 FFAR1 (0.67) KMT2ACA1CA2CA9CA12
SCHEMBL5464915 0.80 CA1 (0.50) KMT2ACA1CA2CA9CA12
SCHEMBL34837 0.80 CA2 (0.61) KMT2ACA1CA2CA9CA12
SCHEMBL1145886 0.80 GHSR (0.60) CA1CA2CA9CA12GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 68/4885EPHX2 3444/4885NR1H4 2496/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 123/4885EPHX2 3151/4885NR1H4 1752/4885

“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.