SCHEMBL6464319

SCHEMBL6464319

CC(C)(NC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL7042156 0.89 CTSS (0.36) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL7044329 0.88 KDM4E (0.38) SMN1; SMN2NPC1RAB9ACTSSMEN1
SCHEMBL6464315 0.85 CTSS (0.39) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6464318 0.85 CTSS (0.39) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6463801 0.84 FAAH (0.38) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6467525 0.83 CTSS (0.35) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL6743166 0.78 CTSS (0.41) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL7046717 0.74 KDM4E (0.36) SMN1; SMN2NPC1RAB9ACTSSMEN1
SCHEMBL7046715 0.74 CTSS (0.42) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL7046716 0.74 CTSS (0.42) CTSSCTSLCTSKMEN1KMT2A

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 SMN1; SMN2 4034/4885MAPT 2414/4885NPC1 428/4885

“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.