SCHEMBL7159252

SCHEMBL7159252

CCCCS(=O)(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
AURKA O14965 2/20 0.56
KDR P35968 2/20 0.56
AURKB Q96GD4 2/20 0.56
BRD4 O60885 4/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX1 P07099 1/20 0.48
PKM P14618 1/20 0.48
PKLR P30613 1/20 0.48
ATM Q13315 1/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL17227593 0.85 CA1 (0.62) ARAURKAKDRAURKBCA1
SCHEMBL6978659 0.80 BRAF (0.57) ARAURKAKDRAURKBBRD4
SCHEMBL4650966 0.80 AR (0.66) ARAURKAKDRAURKBBRD4
SCHEMBL14588787 0.79 HDAC1 (0.54) AURKAKDRAURKBCA1CA2
SCHEMBL1403318 0.79 GAA (0.52) ARAURKAKDRAURKBCA1
SCHEMBL5778734 0.79 AURKA (0.45) ARAURKAKDRAURKBBRD4
SCHEMBL28609831 0.77 MEN1 (0.56) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL1403147 0.77 HDAC1 (0.54) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL10345020 0.76 BRD4 (0.52) ARAURKAKDRAURKBBRD4
SCHEMBL8861660 0.76 BRD4 (0.52) ARAURKAKDRAURKBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541276-B2 Nucleophilic reaction of alkoxyamine VERSICOR, INC. 2003-04-01 US disclosed
US-6448058-B1 METHOD OF INHIBITING A PEPTIDE DEFORMYLASE, THE METHOD COMPRISING CONTACTING THE PEPTIDE DEFORMYLASE WITH ONE OR MORE COMPOUNDS OF THE INVENTION VERSICOR, INC. 2002-09-10 US disclosed
US-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. 2001-12-20 US disclosed
US-6281245-B1 ADMINISTERING DEFORMYLASE INHIBITOR VERSICOR, INC. 2001-08-28 US disclosed
WO-1999057097-A2 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1999-11-11 WO 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-20010053555-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF HNMT, HAAO, HPSE AR 3339/4885AURKA 1181/4885KDR 2178/4885

“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.