SCHEMBL4130838

SCHEMBL4130838

COC[C@@H](CN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)C)OC(=O)Nc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.37
GSTO1 P78417 2/20 0.37
CCR1 P32246 2/20 0.35
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
HPGD P15428 1/20 0.33
NLRP1 Q9C000 1/20 0.33

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
SCHEMBL4135071 0.93 TRPV4 (0.39) TRPV4GSTO1CCR1GAAPKM
SCHEMBL4129734 0.93 TRPV4 (0.39) TRPV4GSTO1CCR1GAAPKM
SCHEMBL4129723 0.93 TRPV4 (0.39) TRPV4GSTO1CCR1GAAPKM
SCHEMBL4148627 0.91 BMP1 (0.37) TRPV4GSTO1CCR1PKM
SCHEMBL4148621 0.91 BMP1 (0.37) TRPV4GSTO1CCR1PKM
SCHEMBL4129226 0.86 TRPV4 (0.41) TRPV4GSTO1CCR1GAAPKM
SCHEMBL4135082 0.86 TRPV4 (0.41) TRPV4GSTO1CCR1GAAPKM
SCHEMBL4139740 0.84 PTGES (0.37) TRPV4
SCHEMBL4139745 0.84 PTGES (0.37) TRPV4
SCHEMBL4139634 0.84 TRPV4 (0.39) TRPV4GSTO1CCR1GAAPKM

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 3 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 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 1/4885GSTO1 4156/4885CCR1 766/4885

“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.