SCHEMBL4060764

SCHEMBL4060764

O=S(=O)(NCCCCO)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.79
PKM P14618 2/20 0.79
KDM4E B2RXH2 1/20 0.79
LMNA P02545 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
TBXA2R P21731 2/20 0.68
MAPK1 P28482 1/20 0.60
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
KEAP1 Q14145 1/20 0.52
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL6675598 0.98 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8595157 0.98 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL812738 0.94 ALDH1A1 (0.75) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL10453840 0.90 ALDH1A1 (0.96) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2005591 0.90 ALDH1A1 (0.64) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2004233 0.89 ALDH1A1 (0.67) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2009617 0.89 ALDH1A1 (0.67) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL9577143 0.88 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL21048464 0.88 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL12672471 0.88 ALDH1A1 (1.00) ALDH1A1PKMKDM4ELMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
EP-1594866-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2005-11-16 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
WO-2004072070-A1 ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES PFIZER INC. (US) 2004-08-26 WO 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885PKM 889/4885KDM4E 2078/4885

“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.