SCHEMBL4183311

SCHEMBL4183311

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 2/20 0.37
TRPV4 Q9HBA0 2/20 0.37
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 1/20 0.35
MC4R P32245 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL4183315 0.84 KMT2A (0.45) ACLYKMT2AMEN1ALDH1A1EPHX2
SCHEMBL4180784 0.81 CCR1 (0.46) ACLYKMT2AMEN1ALDH1A1TRPV4
SCHEMBL4185698 0.81 KMT2A (0.40) ACLYKMT2AMEN1ALDH1A1TRPV4
Hydrochloric Acid SCHEMBL4189190 0.79 ATM (0.40) ACLYTRPV4HSD11B1
SCHEMBL4178078 0.79 CTSL (0.41) ACLYKMT2AMEN1ALDH1A1TRPV4
SCHEMBL4185265 0.79 KMT2A (0.42) ACLYKMT2AMEN1ALDH1A1EPHX2
SCHEMBL4194908 0.79 KMT2A (0.42) ACLYKMT2AMEN1ALDH1A1EPHX2
SCHEMBL4185931 0.78 TRPV4 (0.60) ACLYTRPV4F10
SCHEMBL4178713 0.78 TRPV4 (0.60) ACLYTRPV4F10
SCHEMBL4185675 0.78 TRPV4 (0.60) ACLYTRPV4F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACLY 4455/4885KMT2A 3870/4885MEN1 3090/4885

“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.