SCHEMBL4178660

SCHEMBL4178660

CCCC[C@H](NC(=O)c1ccco1)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TRPV4 Q9HBA0 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
SCHEMBL4178078 0.91 CTSL (0.41) SMN1; SMN2TSHRPOLBMAPK1KMT2A
SCHEMBL4178178 0.89 ACLY (0.43) POLBKMT2AMEN1ACLYALDH1A1
SCHEMBL4188294 0.88 CTSS (0.44) SMN1; SMN2TSHRPOLBMAPK1KMT2A
SCHEMBL4182769 0.87 POLB (0.40) SMN1; SMN2TSHRPOLBMAPK1KMT2A
SCHEMBL4182772 0.87 POLB (0.40) SMN1; SMN2TSHRPOLBMAPK1KMT2A
SCHEMBL4181430 0.85 ACLY (0.42) SMN1; SMN2TSHRPOLBMAPK1KMT2A
SCHEMBL4183283 0.84 CCR1 (0.46) POLBKMT2AMEN1ACLYALDH1A1
SCHEMBL4192169 0.84 TRPV4 (0.51) ACLYTRPV4F10BCHEACHE
SCHEMBL4187937 0.84 CNR1 (0.43) KMT2AMEN1CYP3A4ACLYTRPV4
SCHEMBL4185687 0.83 KMT2A (0.42) SMN1; SMN2MAPK1KMT2AMEN1LMNA

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 claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
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 SMN1; SMN2 3714/4885TSHR 1343/4885POLB 4819/4885

“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.