SCHEMBL12477752

SCHEMBL12477752

CC(C)(C(=O)N1CCCCC1)c1ccc(S(=O)(=O)/C=C/C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 7/20 0.58
HPGD P15428 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HSD17B10 Q99714 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
NFKB1 P19838 2/20 0.58
MAPK1 P28482 2/20 0.58
CYP2C19 P33261 2/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58

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
SCHEMBL12477753 1.00 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477338 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477333 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477377 0.88 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477371 0.88 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL15400868 0.82 MAPT (0.50) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL15400867 0.82 MAPT (0.50) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL27947254 0.80 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477653 0.79 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTDP1NPC1
SCHEMBL12477655 0.79 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTDP1NPC1

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 13 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
CN-103476752-B Substituted aromatic series sulphur compound and using method thereof 赛福伦公司 2016-09-28 CN claimed
US-20140005175-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use CEPHALON, INC. (US) 2014-01-02 US 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
CN-103476752-B Substituted aromatic series sulphur compound and using method thereof 赛福伦公司 2016-09-28 CN 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 ALDH1A1 227/4885MAPT 4091/4885HPGD 942/4885
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 ALDH1A1 227/4885MAPT 4091/4885HPGD 942/4885

“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.