SCHEMBL6467029

SCHEMBL6467029

O=C(O)N1CCC(C(=O)N(CCC2CCCCC2)C(=O)N[C@@H](CCc2ccccc2)C(O)c2nc3ccccc3o2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
ACHE P22303 1/20 0.34
CTSS P25774 7/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MIF P14174 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7048358 0.92 SMN1; SMN2 (0.38) LMNAMAPTSMN1; SMN2HTTNPC1
SCHEMBL6466278 0.88 BMP1 (0.36) LMNAMAPTMAPK14CTSSCTSL
SCHEMBL6462857 0.80 REN (0.32) LMNAMAPTCTSSCTSLCTSB
SCHEMBL6463649 0.79 MEN1 (0.40) LMNAMAPTSMN1; SMN2CTSSCTSL
SCHEMBL6473321 0.79 MEN1 (0.40) LMNAMAPTSMN1; SMN2CTSSCTSL
SCHEMBL6466336 0.78 MEN1 (0.40) LMNAMAPTSMN1; SMN2HTTCTSS
SCHEMBL7044250 0.77 PRSS8 (0.47) LMNAMAPTSMN1; SMN2HTTCTSS
SCHEMBL6061657 0.77 PRSS8 (0.43) LMNAMAPTCTSSCTSLCTSB
SCHEMBL7046421 0.75 USP30 (0.39) MAPTCTSSCTSLCTSBMEN1
SCHEMBL7046217 0.75 CTSL (0.44) MAPTSMN1; SMN2CTSSCTSLCTSB

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 LMNA 1755/4885MAPT 2414/4885MAPK14 2907/4885

“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.