SCHEMBL4179410

SCHEMBL4179410

COc1ccc(CS(=O)(=O)C(=Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ GRIN2D O15399 2/20 0.40
▸ GRIN3B O60391 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ GRIN2C Q14957 2/20 0.40
▸ GRIN3A Q8TCU5 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TUBB4A P04350 1/20 0.38

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
SCHEMBL4179409 1.00 ALDH1A1 (0.47) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4179405 1.00 ALDH1A1 (0.47) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4185068 0.87 CA2 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4185066 0.87 CA2 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4185061 0.87 CA2 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4181857 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4181865 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4181869 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4176418 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL4176425 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNAGAAHTTSMN1; 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 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 ALDH1A1 249/4885LMNA 4621/4885GAA 2400/4885

“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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