SCHEMBL6463249

SCHEMBL6463249

CC(CCC(=O)ON1C(=O)CCC1=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
FOLH1 Q04609 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.40
CTSS P25774 4/20 0.40
CTSL P07711 4/20 0.40
CTSK P43235 4/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.40
SYK P43405 1/20 0.40
CTSB P07858 1/20 0.40
SLC1A2 P43004 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
SCHEMBL6420313 0.83 GAA (0.58) GAAFOLH1LMNASMN1; SMN2HTT
SCHEMBL11802015 0.81 CASP1 (0.43) FOLH1LMNASMN1; SMN2CTSSCTSL
SCHEMBL1231646 0.81 HTT (0.62) GAAFOLH1LMNASMN1; SMN2HTT
SCHEMBL31047751 0.81 KYNU (0.49) CTSSCTSLCTSK
SCHEMBL6943800 0.81 HSD17B10 (0.50) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL6940875 0.81 HSD17B10 (0.50) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL10313730 0.81 CASP1 (0.47) CTSLCTSK
SCHEMBL29402191 0.81 CASP1 (0.47) CTSLCTSK
SCHEMBL31614372 0.81 CASP1 (0.47) CTSLCTSK
SCHEMBL1412214 0.81 TPSAB1 (0.50) GAALMNASMN1; SMN2HTTCTSS

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-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
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ GAA 292/4885FOLH1 624/4885LMNA 1755/4885

“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.