SCHEMBL4136813

SCHEMBL4136813

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 11/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
NLRP1 Q9C000 1/20 0.39
GSTO1 P78417 1/20 0.38
CCR1 P32246 1/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BDKRB1 P46663 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4134999 0.89 GSTO1 (0.44) TRPV4GAAHPGDNLRP1GSTO1
SCHEMBL4135431 0.88 TRPV4 (0.41) TRPV4GAAPTGDRPTGDR2L3MBTL1
SCHEMBL4134996 0.84 GAA (0.40) TRPV4GAAHPGDNLRP1GSTO1
SCHEMBL4136256 0.84 TRPV4 (0.39) TRPV4GAAHPGDNLRP1GSTO1
SCHEMBL4129723 0.83 TRPV4 (0.39) TRPV4GAAHPGDGSTO1CCR1
SCHEMBL4129734 0.83 TRPV4 (0.39) TRPV4GAAHPGDGSTO1CCR1
SCHEMBL4135071 0.83 TRPV4 (0.39) TRPV4GAAHPGDGSTO1CCR1
SCHEMBL4135951 0.83 TRPV4 (0.38) TRPV4GAAHPGDNLRP1CCR1
SCHEMBL4128358 0.82 GAA (0.43) GAAHPGDCCR1ALDH1A1
SCHEMBL4128352 0.82 GAA (0.43) GAAHPGDCCR1ALDH1A1

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 TRPV4 1/4885GAA 3715/4885HPGD 1044/4885

“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.