SCHEMBL4185698

SCHEMBL4185698

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ACLY P53396 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
RORC P51449 3/20 0.38
ALDH1A1 P00352 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
F10 P00742 1/20 0.36
EGFR P00533 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL4180784 0.86 CCR1 (0.46) KMT2AMEN1ACLYCTSLCTSB
SCHEMBL4194908 0.86 KMT2A (0.42) KMT2AMEN1ACLYALDH1A1TRPV4
SCHEMBL4185265 0.86 KMT2A (0.42) KMT2AMEN1ACLYALDH1A1TRPV4
SCHEMBL4178078 0.84 CTSL (0.41) KMT2AMEN1ACLYCTSLCTSS
SCHEMBL4183315 0.84 KMT2A (0.45) KMT2AMEN1ACLYALDH1A1F10
SCHEMBL4177802 0.82 CTSS (0.44) MAP1LC3BMAP1LC3ACTSLCTSBCTSS
SCHEMBL4179250 0.82 LMNA (0.41) KMT2AMEN1ACLYALDH1A1SMN1; SMN2
SCHEMBL4185931 0.81 TRPV4 (0.60) ACLYCTSBCTSSCTSKTRPV4
SCHEMBL4178713 0.81 TRPV4 (0.60) ACLYCTSBCTSSCTSKTRPV4
SCHEMBL4185675 0.81 TRPV4 (0.60) ACLYCTSBCTSSCTSKTRPV4

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
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

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 3090/4885ACLY 4455/4885

“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.