SCHEMBL4178078

SCHEMBL4178078

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
TRPV4 Q9HBA0 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ACLY P53396 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 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
SCHEMBL4178660 0.91 SMN1; SMN2 (0.40) TRPV4POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4180614 0.89 KMT2A (0.45) CTSLCTSSCTSKSMN1; SMN2TSHR
SCHEMBL4180784 0.89 CCR1 (0.46) CTSLCTSSCTSKTRPV4POLB
SCHEMBL4188294 0.88 CTSS (0.44) CTSLCTSSCTSKPOLBSMN1; SMN2
SCHEMBL4182772 0.88 POLB (0.40) TRPV4POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4182769 0.88 POLB (0.40) TRPV4POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4181430 0.86 ACLY (0.42) TRPV4POLBSMN1; SMN2TSHRMAPK1
SCHEMBL4179250 0.84 LMNA (0.41) SMN1; SMN2TSHRLMNAKMT2AMEN1
SCHEMBL4185698 0.84 KMT2A (0.40) CTSLCTSSCTSKTRPV4SMN1; SMN2
SCHEMBL4186154 0.84 CTSS (0.42) CTSLCTSSCTSKUTS2RALDH1A1

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 6 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
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 CTSL 867/4885CTSS 1717/4885CTSK 1738/4885

“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.