SCHEMBL12477690

SCHEMBL12477690

CCOC(=O)C=CS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
MAPT P10636 7/20 0.64
LMNA P02545 6/20 0.64
TP53 P04637 3/20 0.64
MAPK1 P28482 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 2/20 0.64
XBP1 P17861 1/20 0.64
AGTR1 P30556 1/20 0.64
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP3A4 P08684 2/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 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
SCHEMBL12477686 1.00 ALDH1A1 (0.64) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL19195341 0.85 ALDH1A1 (0.70) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL11841005 0.82 ALDH1A1 (0.67) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL19201599 0.82 MAPT (0.67) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL19209521 0.82 MAPT (0.66) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL9542426 0.82 MAPT (0.66) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL28471800 0.79 ALDH1A1 (0.57) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL12478279 0.77 ALDH1A1 (0.55) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL12478281 0.77 ALDH1A1 (0.55) ALDH1A1MAPTLMNATP53MAPK1
SCHEMBL4890740 0.76 CA12 (0.69) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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 8 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-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 4091/4885LMNA 3709/4885
US-20170029367-A1 Substituted Aromatic Sulfur Compounds and Methods of Their Use RB1, NRAS, TP53 ALDH1A1 227/4885MAPT 4091/4885LMNA 3709/4885

“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.