SCHEMBL7845841

SCHEMBL7845841

CC(=O)c1ccc(NS(C)(=O)=O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 5/20 0.49
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PDK1 Q15118 1/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B1 P14061 1/20 0.42

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
SCHEMBL28939429 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDHSD17B10CA12
SCHEMBL7355242 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDCA12CA1
SCHEMBL15754433 0.83 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDHSD17B10CA12
SCHEMBL8277193 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDMAPK1MEN1
SCHEMBL11360774 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDCA12CA1
SCHEMBL13596077 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDCYP3A4MAPK1
SCHEMBL1120898 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDMAPK1POLB
SCHEMBL9209192 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDPOLBMEN1
SCHEMBL31254026 0.77 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HPGDHSD17B10CYP3A4
SCHEMBL1258654 0.77 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
WO-2015009812-A2 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2015-01-22 WO disclosed
EP-0831824-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP disclosed
EP-0831824-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-04-01 EP disclosed
WO-1996039140-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-12-12 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 (1 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-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF MAVS, EIF2AK2, IRF3 ALDH1A1 3052/4885SMN1; SMN2 1969/4885HPGD 3295/4885

“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.