SCHEMBL4127510

SCHEMBL4127510

Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CAPN1 P07384 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PSMB5 P28074 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39

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
SCHEMBL4140851 0.93 TRPV4 (0.48) TRPV4L3MBTL1MAPTTP53HTT
SCHEMBL4136473 0.93 HTT (0.47) TRPV4L3MBTL1MAPTTP53HTT
SCHEMBL4133461 0.92 TRPV4 (0.47) TRPV4L3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL4135455 0.89 TRPV4 (0.50) TRPV4L3MBTL1MAPTLMNAALDH1A1
SCHEMBL13872605 0.85 BMP1 (0.46) TRPV4MAPTLMNAALDH1A1CAPN1
SCHEMBL4139657 0.80 CAPN1 (0.51) TRPV4MAPTALDH1A1CAPN1GAA
SCHEMBL4127509 0.78 TRPV4 (0.41) TRPV4MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL4147709 0.77 TRPV4 (0.44) TRPV4CAPN1
SCHEMBL4139857 0.76 TRPV4 (0.55) TRPV4
SCHEMBL4127488 0.76 TRPV4 (0.76) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TRPV4 1/4885L3MBTL1 3940/4885MAPT 2159/4885

“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.