SCHEMBL643099

SCHEMBL643099

Cc1ccc(O)cc1S(=O)(=O)OCC[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
PKM P14618 2/20 0.42
ACHE P22303 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ESR1 P03372 2/20 0.37
ATM Q13315 2/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
OPRM1 P35372 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8795201 0.88 GAA (0.45) ALDH1A1GAAPKMACHEMEN1
SCHEMBL2347168 0.84 ALDH1A1 (0.43) ALDH1A1GAAPKMACHEMEN1
SCHEMBL11385199 0.84 ALDH1A1 (0.43) ALDH1A1GAAPKMACHEMEN1
SCHEMBL9009542 0.82 TYR (0.40) ALDH1A1GAAPKMACHEMEN1
SCHEMBL11446428 0.82 ALDH1A1 (0.41) ALDH1A1GAAPKMACHEMEN1
SCHEMBL872880 0.82 ALDH1A1 (0.41) ALDH1A1GAAPKMACHEMEN1
SCHEMBL8459792 0.81 ALDH1A1 (0.44) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL10643515 0.78 GAA (0.39) ALDH1A1GAAACHEMEN1KMT2A
SCHEMBL8037102 0.78 ALDH1A1 (0.40) ALDH1A1GAAPKMACHEMEN1
SCHEMBL9813093 0.75 ALDH1A1 (0.36) ALDH1A1GAAPKMMEN1KMT2A

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
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 ALDH1A1 330/4885GAA 24/4885PKM 2253/4885

“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.