SCHEMBL5079906

SCHEMBL5079906

CC(N[C@@H](C)c1ccccc1)C(=O)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
ACP3 P15309 4/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39

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
SCHEMBL5082798 1.00 ALDH1A1 (0.42) ALDH1A1ACP3GAASMN1; SMN2NPC1
SCHEMBL5079094 0.99 ALDH1A1 (0.41) ALDH1A1ACP3GAASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5082428 0.99 ACP3 (0.44) ALDH1A1ACP3GAASMN1; SMN2NPC1
SCHEMBL5082805 0.84 ACP3 (0.47) ALDH1A1ACP3GAASMN1; SMN2NPC1
SCHEMBL5082241 0.84 TMPRSS15 (0.48) ALDH1A1ACP3SMN1; SMN2NPC1POLB
SCHEMBL5082680 0.82 MAOB (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5082443 0.82 MAOB (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5082435 0.81 ACP3 (0.53) ALDH1A1ACP3SMN1; SMN2NPC1LMNA
SCHEMBL22828969 0.81 ACP3 (0.53) ALDH1A1ACP3SMN1; SMN2NPC1LMNA
SCHEMBL5082686 0.80 KMT2A (0.52) ALDH1A1ACP3NPC1LMNAPOLB

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-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C ALDH1A1 93/4885ACP3 2531/4885GAA 1786/4885

“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.