Sugi Predict

Sugi Predict / Compounds / SCHEMBL12477377

SCHEMBL12477377

SCHEMBL12477377

CC(C)(C(=O)N1CCOCC1)c1ccc(S(=O)(=O)C=CC#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ MAPT P10636 4/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ GMNN O75496 1/20 0.55

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
SCHEMBL12477371 1.00 ALDH1A1 (0.55) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477753 0.88 ALDH1A1 (0.58) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477752 0.88 ALDH1A1 (0.58) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477338 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477333 0.87 ALDH1A1 (0.56) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL15400867 0.80 MAPT (0.50) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL15400868 0.80 MAPT (0.50) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477653 0.78 ALDH1A1 (0.70) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12477655 0.78 ALDH1A1 (0.70) ALDH1A1MAPTTDP1HPGDRAB9A
SCHEMBL12478067 0.77 ALDH1A1 (0.52) ALDH1A1MAPTTDP1HPGDRAB9A

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-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
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-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 4091/4885TDP1 3658/4885
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 ALDH1A1 227/4885MAPT 4091/4885TDP1 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.