SCHEMBL12477236

SCHEMBL12477236

CC(C)(C(=O)O)c1cccc(S(=O)(=O)/C=C/C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
NFKB1 P19838 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL12477239 1.00 MAPT (0.52) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12478319 0.85 ALDH1A1 (0.68) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12478316 0.85 ALDH1A1 (0.68) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12477653 0.83 ALDH1A1 (0.70) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12477655 0.83 ALDH1A1 (0.70) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL11761660 0.79 ALDH1A1 (0.51) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL11761657 0.79 ALDH1A1 (0.51) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12477670 0.79 ALDH1A1 (0.42) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12477672 0.79 ALDH1A1 (0.42) MAPTALDH1A1TDP1HPGDCYP3A4
SCHEMBL12478066 0.77 TRPV1 (0.41) MAPTALDH1A1TDP1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON INC (US) 2017-02-02 US claimed
US-9475766-B2 Substituted aromatic sulfur compounds and methods of their use CEPHALON, INC. (US) 2016-10-25 US claimed
US-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON, INC. (US) 2014-01-02 US claimed
WO-2012116151-A2 SUBSTITUTED AROMATIC SULFUR COMPOUNDS AND METHODS OF THEIR USE CEPHALON, INC. (US) 2012-08-30 WO claimed
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON INC (US) 2017-02-02 US disclosed
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON INC (US) 2017-02-02 US disclosed
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON INC (US) 2017-02-02 US disclosed
US-9475766-B2 Substituted aromatic sulfur compounds and methods of their use CEPHALON, INC. (US) 2016-10-25 US disclosed
US-9475766-B2 Substituted aromatic sulfur compounds and methods of their use CEPHALON, INC. (US) 2016-10-25 US disclosed
US-9475766-B2 Substituted aromatic sulfur compounds and methods of their use CEPHALON, INC. (US) 2016-10-25 US disclosed
US-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON, INC. (US) 2014-01-02 US disclosed
WO-2012116151-A2 SUBSTITUTED AROMATIC SULFUR COMPOUNDS AND METHODS OF THEIR USE CEPHALON, INC. (US) 2012-08-30 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-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 MAPT 4091/4885ALDH1A1 227/4885TDP1 3658/4885
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 MAPT 4091/4885ALDH1A1 227/4885TDP1 3658/4885

“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.