SCHEMBL4136138

SCHEMBL4136138

CC(C)C[C@@H](CN(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)NC(C)C)NC(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.41
ADAM17 P78536 1/20 0.38
FABP4 P15090 2/20 0.35
MAPK1 P28482 1/20 0.35
CCR1 P32246 1/20 0.35
PTGES O14684 2/20 0.35
NAMPT P43490 1/20 0.34
MTOR P42345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CAPN1 P07384 2/20 0.32
CCKBR P32239 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL4136142 1.00 BMP1 (0.41) BMP1ADAM17FABP4MAPK1CCR1
SCHEMBL4136390 0.92 MAPK1 (0.40) FABP4MAPK1CCR1PTGESTRPV4
SCHEMBL4140598 0.92 MAPK1 (0.40) FABP4MAPK1CCR1PTGESTRPV4
SCHEMBL4136808 0.91 SLC6A3 (0.38) BMP1ADAM17MAPK1CCR1NAMPT
SCHEMBL4136806 0.91 SLC6A3 (0.38) BMP1ADAM17MAPK1CCR1NAMPT
SCHEMBL4140628 0.89 TP53 (0.35) FABP4PTGESMTORALDH1A1LMNA
SCHEMBL4140623 0.89 TP53 (0.35) FABP4PTGESMTORALDH1A1LMNA
SCHEMBL4143372 0.87 MAPK1 (0.41) FABP4MAPK1CCR1ALDH1A1LMNA
SCHEMBL4143367 0.87 MAPK1 (0.41) FABP4MAPK1CCR1ALDH1A1LMNA
SCHEMBL4149304 0.85 MAPK1 (0.39) BMP1FABP4MAPK1NAMPTALDH1A1

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 BMP1 2172/4885ADAM17 2364/4885FABP4 856/4885

“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.