SCHEMBL4183315

SCHEMBL4183315

CC(C)C[C@H](N)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.42
ACLY P53396 1/20 0.42
F10 P00742 2/20 0.40
RAB9A P51151 1/20 0.40
MMP2 P08253 1/20 0.39
EPHX2 P34913 3/20 0.39
CACNA1H O95180 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL4183311 0.84 ACLY (0.42) KMT2AMEN1ALDH1A1ACLYF10
SCHEMBL4180784 0.84 CCR1 (0.46) KMT2AMEN1ALDH1A1ACLYRAB9A
SCHEMBL4185698 0.84 KMT2A (0.40) KMT2AMEN1ALDH1A1ACLYF10
SCHEMBL4178078 0.82 CTSL (0.41) KMT2AMEN1ALDH1A1ACLY
SCHEMBL4194908 0.82 KMT2A (0.42) KMT2AMEN1ALDH1A1ACLYRAB9A
SCHEMBL4185265 0.82 KMT2A (0.42) KMT2AMEN1ALDH1A1ACLYRAB9A
SCHEMBL4185931 0.81 TRPV4 (0.60) ACLYF10
SCHEMBL4185675 0.81 TRPV4 (0.60) ACLYF10
SCHEMBL4178713 0.81 TRPV4 (0.60) ACLYF10
SCHEMBL4179250 0.80 LMNA (0.41) KMT2AMEN1ALDH1A1ACLY

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 KMT2A 3870/4885MEN1 3090/4885ALDH1A1 961/4885

“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.