SCHEMBL4132201

SCHEMBL4132201

CNC(=O)OCCN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 5/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
CCR1 P32246 1/20 0.39
GAA P10253 3/20 0.37
HSD11B1 P28845 3/20 0.37
TSHR P16473 1/20 0.36
PPARG P37231 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
USP1 O94782 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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 0.94 CCR1 (0.40) PTGDRPTGDR2CCR1GAAHSD11B1
SCHEMBL4140005 0.89 EPHX2 (0.39) PTGDRPTGDR2CCR1HSD11B1TSHR
SCHEMBL4132376 0.86 GAA (0.42) PTGDRPTGDR2CCR1GAAHSD11B1
SCHEMBL4141206 0.84 CA12 (0.41) PTGDRPTGDR2HSD11B1PPARG
SCHEMBL4136186 0.75 TRPV4 (0.39) PTGDRPTGDR2CCR1GAAHSD11B1
SCHEMBL4136024 0.75 RAB9A (0.40) PTGDRPTGDR2CCR1GAAHSD11B1
SCHEMBL4136028 0.75 RAB9A (0.40) PTGDRPTGDR2CCR1GAAHSD11B1
SCHEMBL4142077 0.74 RAB9A (0.38) PTGDRPTGDR2HSD11B1TSHRPPARG
SCHEMBL4142079 0.74 RAB9A (0.38) PTGDRPTGDR2HSD11B1TSHRPPARG
SCHEMBL4131622 0.74 RAB9A (0.40) PTGDRPTGDR2CCR1GAAHSD11B1

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 6 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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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

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 PTGDR 316/4885PTGDR2 267/4885CCR1 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.