SCHEMBL7044860

SCHEMBL7044860

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1cccnc1)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 3/20 0.36
CTSS P25774 1/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CTSL P07711 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
LONP1 P36776 3/20 0.33
PSMB11 A5LHX3 2/20 0.33
PSMA7 O14818 2/20 0.33
PSMB1 P20618 2/20 0.33
PSMA1 P25786 2/20 0.33
PSMA2 P25787 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
SCHEMBL6465509 0.96 LMNA (0.46) LMNAHPGDHTTKDM4EEPHX2
SCHEMBL6464414 0.82 FAAH (0.38) CTSSCYP2C9CYP3A4
SCHEMBL7043354 0.80 EPHX2 (0.39) EPHX2CTSSCYP2C9CYP3A4
SCHEMBL7049525 0.79 GART (0.38) KDM4ECTSSPOLBCYP2C9CYP3A4
SCHEMBL6468432 0.78 GART (0.34) HPGDHTTKDM4EEPHX2CTSS
SCHEMBL7048000 0.78 POLB (0.36) LMNAHPGDHTTKDM4EPOLB
SCHEMBL6465945 0.77 CTSS (0.33) EPHX2CTSSADRB2ADRB1ADRB3
SCHEMBL6468407 0.76 EPHX2 (0.38) EPHX2CTSSPOLBCYP2C9CYP3A4
SCHEMBL7045927 0.76 CTSS (0.38) HTTKDM4EEPHX2CTSSCYP2C9
SCHEMBL7049143 0.76 HTT (0.34) HTTKDM4ECTSSCYP2C9CYP3A4

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 LMNA 1755/4885HPGD 536/4885HTT 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.