SCHEMBL4073953

SCHEMBL4073953

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
EPHX2 P34913 3/20 0.50
LMNA P02545 5/20 0.49
MMP2 P08253 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7041672 0.83 CTSK (0.47) KMT2AMEN1MMP2GAA
SCHEMBL4073951 0.80 KMT2A (0.50) KMT2AMEN1EPHX2LMNAMAPT
SCHEMBL6093953 0.78 UTS2R (0.48) KMT2AMEN1EPHX2LMNAGAA
SCHEMBL4077783 0.78 ATM (0.47) EPHX2ALDH1A1PKM
SCHEMBL14342651 0.78 UTS2R (0.61)
SCHEMBL14342647 0.76 F10 (0.45) KMT2AMEN1GAAALDH1A1
SCHEMBL4120462 0.76 LMNA (0.70) KMT2AMEN1EPHX2LMNAMAPT
SCHEMBL6739733 0.75 UTS2R (0.47) KMT2AMEN1LMNAGAAMAPT
SCHEMBL6404949 0.74 CTSK (0.50) EPHX2
SCHEMBL5098745 0.74 CTSK (0.47) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP claimed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US claimed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP claimed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO claimed
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 KMT2A 3942/4885MEN1 2106/4885EPHX2 891/4885

“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.