SCHEMBL6467525

SCHEMBL6467525

O=C(c1nc2ccccc2o1)C(CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6468767 0.89 CTSS (0.36) CTSSCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL7044831 0.89 CTSS (0.36) CTSSCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL7045927 0.89 CTSS (0.38) CTSSMEN1KMT2AHTTCYP3A4
SCHEMBL6463801 0.86 FAAH (0.38) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL6467381 0.85 CTSS (0.36) CTSSMEN1KMT2AHTTCYP3A4
SCHEMBL6464319 0.83 SMN1; SMN2 (0.37) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL7048621 0.81 CTSS (0.35) CTSSCTSLCTSKMAPTSMN1; SMN2
SCHEMBL7187232 0.79 CTSS (0.38) CTSSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7114802 0.78 LMNA (0.38) CTSSMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6743166 0.77 CTSS (0.41) 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 6 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 claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
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 CTSS 9/4885CTSL 18/4885CTSK 32/4885

“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.