SCHEMBL4169167

SCHEMBL4169167

CCCC[C@H](CNOCc1ccccc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
BIRC2 Q13490 1/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CNR2 P34972 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MBOAT4 Q96T53 1/20 0.43
CTSK P43235 2/20 0.42
FOLH1 Q04609 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL6450337 1.00 CA1 (0.49) CA1CA2BIRC2CTSLCTSS
SCHEMBL4169164 1.00 CA1 (0.49) CA1CA2BIRC2CTSLCTSS
SCHEMBL15048701 0.96 BIRC2 (0.49) CA1CA2BIRC2CNR2TSHR
SCHEMBL15048738 0.91 HSD17B10 (0.46) CTSLCTSSCNR2TSHRALDH1A1
SCHEMBL4955699 0.89 PTGES (0.48) CA2CTSLCTSSCNR2TSHR
SCHEMBL3319286 0.89 PTGES (0.48) CA2CTSLCTSSCNR2TSHR
SCHEMBL15048672 0.87 LMNA (0.44) BIRC2CNR2TSHRL3MBTL1MBOAT4
SCHEMBL134381 0.85 CTRC (0.48) BIRC2CNR2FOLH1PTGESALOX5
SCHEMBL134382 0.85 CTRC (0.48) BIRC2CNR2FOLH1PTGESALOX5
SCHEMBL8054966 0.84 CTRC (0.50) CNR2CETP

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
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 US claimed
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 US disclosed
US-7452999-B2 Chemical process for the preparation of intermediates to obtain N-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2008-11-18 US disclosed
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-08-02 US disclosed
EP-1599440-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2005-11-30 EP disclosed
WO-2004076053-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2004-09-10 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 (2 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-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS HAO2, HAO1, HAAO CA1 4268/4885CA2 4279/4885BIRC2 2635/4885
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds HAO1, LMNA, HAO2 CA1 4869/4885CA2 4853/4885BIRC2 2885/4885

“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.