SCHEMBL6465509

SCHEMBL6465509

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1ccccc1)c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 1/20 0.36
KMT2A Q03164 2/20 0.35
CTSS P25774 1/20 0.34
EPHX2 P34913 1/20 0.34
LONP1 P36776 3/20 0.34
PSMB11 A5LHX3 2/20 0.34
PSMA7 O14818 2/20 0.34
PSMB1 P20618 2/20 0.34
PSMA1 P25786 2/20 0.34
PSMA2 P25787 2/20 0.34
PSMA3 P25788 2/20 0.34
PSMA4 P25789 2/20 0.34
PSMB8 P28062 2/20 0.34
PSMB9 P28065 2/20 0.34
PSMA5 P28066 2/20 0.34
PSMB4 P28070 2/20 0.34

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
SCHEMBL7044860 0.96 LMNA (0.44) LMNAHPGDKDM4EHTTCTSL
SCHEMBL6464414 0.86 FAAH (0.38) CTSSCYP3A4ALDH1A1
SCHEMBL7049525 0.82 GART (0.38) KDM4ECTSSCYP3A4ALDH1A1
SCHEMBL7043354 0.82 EPHX2 (0.39) CTSSEPHX2CYP3A4
SCHEMBL6468432 0.80 GART (0.34) HPGDKDM4EHTTKMT2ACTSS
SCHEMBL7045927 0.79 CTSS (0.38) KDM4EHTTKMT2ACTSSEPHX2
SCHEMBL7048621 0.79 CTSS (0.35) LMNAHTTCTSLCTSSEPHX2
SCHEMBL6465945 0.78 CTSS (0.33) CTSLCTSSEPHX2CYP3A4ADRB2
SCHEMBL6468407 0.78 EPHX2 (0.38) CTSSEPHX2CYP3A4
SCHEMBL7049143 0.78 HTT (0.34) KDM4EHTTCTSSCYP3A4

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 LMNA 1755/4885HPGD 536/4885KDM4E 2918/4885

“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.