SCHEMBL7045925

SCHEMBL7045925

CS(=O)(=O)C(CCNC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccn1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMO Q99835 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL7187232 0.90 CTSS (0.38) CTSSKDM4EHTTALDH1A1MEN1
SCHEMBL6467381 0.90 CTSS (0.36) CTSSKDM4EHTTALDH1A1MEN1
SCHEMBL7114802 0.86 LMNA (0.38) CTSSKDM4EALDH1A1TSHRMEN1
SCHEMBL6467703 0.85 FAAH (0.40) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL6464598 0.84 CTSS (0.35) CTSSKDM4EHTTALDH1A1MEN1
SCHEMBL7045927 0.81 CTSS (0.38) CTSSKDM4EHTTALDH1A1MEN1
SCHEMBL6464428 0.77 CTSS (0.39) CTSSNPC1CYP3A4CYP2C9
SCHEMBL6468432 0.77 GART (0.34) CTSSKDM4EHTTALDH1A1NPC1
SCHEMBL7044831 0.77 CTSS (0.36) CTSSKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL6468767 0.77 CTSS (0.36) CTSSKDM4EALDH1A1CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 9/4885KDM4E 2918/4885HTT 2464/4885

“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.