SCHEMBL5854965

SCHEMBL5854965

CS(=O)(=O)C(CCCO)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11251472 0.77 TP53 (0.34)
SCHEMBL17545125 0.76 CPB2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10787462 0.74
SCHEMBL7160486 0.72 CPB2 (0.41) ALDH1A1
SCHEMBL7553795 0.72 CPB2 (0.41) ALDH1A1
SCHEMBL5573625 0.72 CPB2 (0.41) ALDH1A1
SCHEMBL8635514 0.71 CA12 (0.36)
SCHEMBL2057373 0.70 THRB (0.46) ALDH1A1SMN1; SMN2
SCHEMBL16370393 0.70 TP53 (0.41) ATRALDH1A1
1,3-Propanediol SCHEMBL576409 0.69 ALDH1A1 (0.39) ATRALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126007-B2 Process for preparing pyrrolidinyl-functional para-phenylenediamine derivatives substituted by a nitrogenous radical, and intermediate compounds L'OREAL S.A. (FR) 2006-10-24 US disclosed
US-20050209466-A1 Process for preparing pyrrolidinyl-functional para-phenylenediamine derivatives substituted by a nitrogenous radical, and intermediate compounds L'OREAL S.A. (FR) 2005-09-22 US disclosed
EP-1535905-A1 Process for the preparation of paraphenylendiamines comprising pyrrolidines substituted by nitrogenradicals and their intermediates L'OREAL (FR) 2005-06-01 EP 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-20050209466-A1 Process for preparing pyrrolidinyl-functional para-phenylenediamine derivatives substituted by a nitrogenous radical, and intermediate compounds PPOX, PNMT, HPD ATR 1561/4885ALDH1A1 820/4885SMN1; SMN2 2731/4885

“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.