SCHEMBL6468282

SCHEMBL6468282

N#Cc1ccccc1CSCCN(C(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FAAH O00519 1/20 0.30
CES1 P23141 1/20 0.30
DAGLA Q9Y4D2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CTSB P07858 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7189147 0.91 CTSS (0.34) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL6463254 0.91 CTSS (0.34) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL6462134 0.90 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6466455 0.86 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6462052 0.82 CTSC (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6466197 0.81 FAAH (0.36) SMN1; SMN2FAAHCES1DAGLAPTPN2
SCHEMBL7466136 0.81 FAAH (0.36) SMN1; SMN2FAAHCES1DAGLAPTPN2
SCHEMBL6467283 0.80 MEN1 (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7045339 0.78 CTSL (0.42) CTSB
SCHEMBL6467033 0.78 FAAH (0.36) SMN1; SMN2NPC1RAB9AFAAHCES1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ MEN1 4023/4885KMT2A 3705/4885SMN1; SMN2 4034/4885

“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.