SCHEMBL824464

SCHEMBL824464

COc1ccc(CS)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 13/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
PKM P14618 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49

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
SCHEMBL16233087 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL31090163 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL28712446 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL8297975 0.85 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4977602 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL97957 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL13981925 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL11440920 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL1667910 0.83 TTR (0.68) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL499343 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHTTGAA

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
EP-1896401-B1 UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS UNIV TEMPLE (US) 2013-04-10 EP disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-8143453-B2 Unsaturated sulfides, sulfones, sulfoxides and sulfonamides synthesis Temple University—Of the Commonwealth System of Higher Education (US) 2012-03-27 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US disclosed
US-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-14 US 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 (1 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-20090124828-A1 Unsaturated Sulfides, Sulfones, Sulfoxides and Sulfonamides Synthesis SULT2A1, SULT1A1, ARSA SMN1; SMN2 625/4885ALDH1A1 331/4885LMNA 3162/4885

“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.