SCHEMBL4132376

SCHEMBL4132376

O=C(NC1CCCCC1)N(CCO)CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HSD11B1 P28845 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
CCR1 P32246 1/20 0.41
PPARG P37231 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PTGDR Q13258 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4135553 0.88 CCR1 (0.40) GAAHSD11B1CCR1PPARGRAB9A
SCHEMBL4132201 0.86 PTGDR (0.39) GAAHSD11B1CCR1PPARGPTGDR
SCHEMBL4141206 0.85 CA12 (0.41) HSD11B1CA12CA1CA2CA4
SCHEMBL4140005 0.83 EPHX2 (0.39) HSD11B1CA12CA1CA2CA4
SCHEMBL4136186 0.79 TRPV4 (0.39) GAAHSD11B1CA12CA1CA2
SCHEMBL4136024 0.78 RAB9A (0.40) GAAHSD11B1CA12CA1CA2
SCHEMBL4136028 0.78 RAB9A (0.40) GAAHSD11B1CA12CA1CA2
SCHEMBL4142079 0.78 RAB9A (0.38) HSD11B1CA12CA1CA2CA4
SCHEMBL4142077 0.78 RAB9A (0.38) HSD11B1CA12CA1CA2CA4
SCHEMBL4131620 0.77 RAB9A (0.40) GAAHSD11B1CCR1PPARGRAB9A

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 4 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
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 GAA 3715/4885HSD11B1 4282/4885CA12 2237/4885

“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.