SCHEMBL12477355

SCHEMBL12477355

CC(C)(C)c1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GMNN O75496 1/20 0.55
DRD1 P21728 1/20 0.55
DRD3 P35462 1/20 0.55
CCR2 P41597 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 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
SCHEMBL12477260 1.00 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL29022440 0.93 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL31490957 0.85 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL29153359 0.85 TLR9 (0.56) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL29153354 0.85 TLR9 (0.56) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL28413561 0.85 MAOB (0.51) ALDH1A1CYP1A2TSHREGFRNFE2L2
SCHEMBL31490946 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL31490941 0.84 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHPGDTDP1
SCHEMBL5572469 0.82 TLR9 (0.64) ALDH1A1LMNACYP1A2NPSR1CYP2C9
SCHEMBL29149692 0.82 TLR9 (0.64) ALDH1A1LMNACYP1A2NPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.