SCHEMBL4144527

SCHEMBL4144527

CC(C)C[C@H](CN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)C)NC(=O)Nc1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
ITGAV P06756 1/20 0.36
GAA P10253 1/20 0.35
TRPV4 Q9HBA0 6/20 0.34
MAPK1 P28482 1/20 0.33
CCR1 P32246 1/20 0.33
MARS1 P56192 2/20 0.33
GRIK1 P39086 1/20 0.33
CCKBR P32239 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGES O14684 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
SCHEMBL4144525 1.00 IDH1 (0.36) IDH1ITGAVGAATRPV4MAPK1
SCHEMBL4141167 0.92 MAPK1 (0.37) IDH1ITGAVGAATRPV4MAPK1
SCHEMBL4141169 0.92 MAPK1 (0.37) IDH1ITGAVGAATRPV4MAPK1
SCHEMBL4140598 0.90 MAPK1 (0.40) IDH1GAATRPV4MAPK1CCR1
SCHEMBL4136390 0.90 MAPK1 (0.40) IDH1GAATRPV4MAPK1CCR1
SCHEMBL4136057 0.89 GAA (0.40) GAATRPV4CCR1CNR1CNR2
SCHEMBL4136055 0.89 GAA (0.40) GAATRPV4CCR1CNR1CNR2
SCHEMBL4136808 0.89 SLC6A3 (0.38) IDH1GAATRPV4MAPK1CCR1
SCHEMBL4136806 0.89 SLC6A3 (0.38) IDH1GAATRPV4MAPK1CCR1
SCHEMBL4130384 0.86 GAA (0.38) GAATRPV4CCR1CNR1CNR2

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 1 patent. 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

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 IDH1 4176/4885ITGAV 3768/4885GAA 3715/4885

“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.