SCHEMBL333134

SCHEMBL333134

COc1cc(C=O)c(OS(=O)(=O)N(C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 2/20 0.61
TSHR P16473 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PRKDC P78527 2/20 0.51
MAPT P10636 4/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HMGCR P04035 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOD2 Q9HC29 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 3/20 0.37

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
SCHEMBL3458620 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL333573 0.79 HMGCR (0.39) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL333574 0.79 HMGCR (0.39) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL333451 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL29456596 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL13292649 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRTDP1MAPT
Asaraldehyde SCHEMBL27489564 0.76 ALDH1A1 (0.95) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL13292662 0.74 ALDH1A1 (0.64) ALDH1A1TSHRTDP1MAPTLMNA
SCHEMBL3136850 0.73 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL5698339 0.73 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRTDP1PRKDC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097720-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid Les Laboratories Server (FR) 2012-01-17 US disclosed
US-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-06-24 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-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 ALDH1A1 73/4885KDM4E 2771/4885TSHR 1725/4885

“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.