SCHEMBL4135477

SCHEMBL4135477

CCNC(=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C[C@H](COC)OC(=O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
PKM P14618 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
IDH2 P48735 1/20 0.32
CNR1 P21554 3/20 0.32
FABP4 P15090 2/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
RBP4 P02753 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4136888 1.00 CNR2 (0.39) CNR2PKMITGB3ITGAVIDH2
SCHEMBL4136637 0.92 CNR2 (0.39) CNR2PKMIDH2CNR1FABP4
SCHEMBL4136648 0.92 CNR2 (0.39) CNR2PKMIDH2CNR1FABP4
SCHEMBL4140505 0.90 BMP1 (0.35) PKMFABP4CA12CA9USP2
SCHEMBL4132199 0.90 BMP1 (0.35) PKMFABP4CA12CA9USP2
SCHEMBL4139634 0.84 TRPV4 (0.39) PKMFABP4SMN1; SMN2
SCHEMBL4142797 0.84 TRPV4 (0.39) PKMFABP4SMN1; SMN2
SCHEMBL4148627 0.81 BMP1 (0.37) PKMFABP4USP2SMN1; SMN2ALDH1A1
SCHEMBL4148621 0.81 BMP1 (0.37) PKMFABP4USP2SMN1; SMN2ALDH1A1
SCHEMBL4135082 0.78 TRPV4 (0.41) PKMFABP4SMN1; SMN2

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 CNR2 57/4885PKM 2536/4885ITGB3 4177/4885

“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.