SCHEMBL1925943

SCHEMBL1925943

CCSC[C@H](Nc1ccccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6521346 0.85 ALOX12 (0.47) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL29416424 0.84 ALDH1A1 (0.51) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL5511511 0.84 ALDH1A1 (0.51) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL5509024 0.81 MME (0.50) FDPSALDH1A1GAAPOLBNPC1
SCHEMBL9600527 0.79 GAA (0.50) FDPSGAAPOLBNPC1RAB9A
SCHEMBL9600519 0.79 GAA (0.50) FDPSGAAPOLBNPC1RAB9A
SCHEMBL29657478 0.78 KIF11 (0.50) LMNA
SCHEMBL6657106 0.78 FDPS (0.49) FDPSGAAPOLBNPC1RAB9A
SCHEMBL5828232 0.78 FDPS (0.49) FDPSGAAPOLBNPC1RAB9A
SCHEMBL17241309 0.78 GAA (0.48) FDPSALDH1A1GAAPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD FDPS 4506/4885ALDH1A1 4208/4885GAA 1917/4885

“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.