SCHEMBL4181865

SCHEMBL4181865

COc1ccc(CS(=O)(=O)/C(=C\c2c(F)c(F)c(F)c(F)c2F)[N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 11/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL4181869 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4181857 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4177115 0.90 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL4177119 0.90 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL4177117 0.90 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL4176418 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4176425 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4176422 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4179409 0.84 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL4179410 0.84 ALDH1A1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 SMN1; SMN2 448/4885ALDH1A1 249/4885LMNA 4621/4885

“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.

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