SCHEMBL4140628

SCHEMBL4140628

CC(C)C[C@H](CN(CCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)NC(C)C)NC(=O)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CNR2 P34972 3/20 0.34
IDH2 P48735 2/20 0.34
PTGES O14684 1/20 0.34
FPR2 P25090 1/20 0.33
CNR1 P21554 2/20 0.33
FABP4 P15090 1/20 0.33
MTOR P42345 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4140623 1.00 TP53 (0.35) TP53CNR2IDH2PTGESFPR2
SCHEMBL4136142 0.89 BMP1 (0.41) PTGESFABP4MTORALDH1A1LMNA
SCHEMBL4136138 0.89 BMP1 (0.41) PTGESFABP4MTORALDH1A1LMNA
SCHEMBL4136390 0.83 MAPK1 (0.40) PTGESFABP4
SCHEMBL4140598 0.83 MAPK1 (0.40) PTGESFABP4
SCHEMBL4136637 0.83 CNR2 (0.39) CNR2IDH2PTGESCNR1FABP4
SCHEMBL4136648 0.83 CNR2 (0.39) CNR2IDH2PTGESCNR1FABP4
SCHEMBL4136806 0.82 SLC6A3 (0.38) CNR2CNR1SLC6A3
SCHEMBL4136808 0.82 SLC6A3 (0.38) CNR2CNR1SLC6A3
SCHEMBL4139410 0.80 FPR2 (0.50) TP53IDH2FPR2

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 2 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

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 TP53 4387/4885CNR2 57/4885IDH2 3434/4885

“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.