SCHEMBL4133461

SCHEMBL4133461

COc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.47
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CAPN1 P07384 2/20 0.40
HTT P42858 1/20 0.40

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) TRPV4MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL13872605 0.93 BMP1 (0.46) TRPV4GAAMAPTLMNAALDH1A1
SCHEMBL4127510 0.92 TRPV4 (0.47) TRPV4GAAMAPTSMN1; SMN2LMNA
SCHEMBL4135455 0.89 TRPV4 (0.50) TRPV4MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL4136473 0.88 HTT (0.47) TRPV4GAAMAPTSMN1; SMN2LMNA
SCHEMBL4139657 0.80 CAPN1 (0.51) TRPV4GAAMAPTALDH1A1CAPN1
SCHEMBL4135576 0.78 TP53 (0.43) TRPV4GAAMAPTSMN1; SMN2L3MBTL1
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 2 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

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 1/4885GAA 3715/4885MAPT 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.