SCHEMBL4128747

SCHEMBL4128747

CC(C)CC(C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.53
CTSS P25774 13/20 0.53
CTSL P07711 11/20 0.53
CTSB P07858 8/20 0.46
BMP1 P13497 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42

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
Hydrochloric Acid SCHEMBL4136148 0.78 TRPV4 (0.46) TRPV4
SCHEMBL4135455 0.77 TRPV4 (0.50) CTSKCTSLTRPV4
SCHEMBL4714149 0.75 CTSK (0.77) CTSKCTSSCTSLCTSB
SCHEMBL7451630 0.75 CTSK (0.77) CTSKCTSSCTSLCTSB
SCHEMBL4140851 0.75 TRPV4 (0.48) CTSLBMP1TRPV4
SCHEMBL4139657 0.75 CAPN1 (0.51) CTSKCTSSCTSLCTSBTRPV4
SCHEMBL4127510 0.74 TRPV4 (0.47) TRPV4
SCHEMBL4133461 0.74 TRPV4 (0.47) TRPV4
SCHEMBL4139857 0.73 TRPV4 (0.55) CTSKCTSSCTSLCTSBTRPV4
SCHEMBL4127488 0.73 TRPV4 (0.76) CTSKCTSSCTSLCTSBTRPV4

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-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
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CTSK 3473/4885CTSS 3772/4885CTSL 3815/4885

“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.