SCHEMBL4133485

SCHEMBL4133485

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.37
CCR1 P32246 1/20 0.37
TRPV4 Q9HBA0 5/20 0.36
GAA P10253 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL4133487 0.78 CCR1 (0.41) SLC6A9CCR1TRPV4FBP1
SCHEMBL4139656 0.74 TRPV4 (0.40) CCR1TRPV4GAA
SCHEMBL14605682 0.74 CCR1 (0.43) SLC6A9CCR1TRPV4GAAFBP1
SCHEMBL4142748 0.73 TRPV4 (0.49) TRPV4GAA
SCHEMBL4135576 0.72 TP53 (0.43) TRPV4GAA
SCHEMBL4127509 0.71 TRPV4 (0.41) TRPV4GAA
SCHEMBL4133641 0.71 CCR1 (0.40) CCR1TRPV4
Hydrochloric Acid SCHEMBL4136144 0.71 CCR1 (0.45) CCR1TRPV4GAA
SCHEMBL4141257 0.68 CCR1 (0.41) CCR1TRPV4GAA
Hydrochloric Acid SCHEMBL4136148 0.68 TRPV4 (0.46) CCR1TRPV4GAA

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 SLC6A9 1356/4885CCR1 766/4885TRPV4 1/4885

“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.