SCHEMBL4145501

SCHEMBL4145501

CC(C)NC(=O)N(C[CH]COCc1ccccc1)CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.39
TRPV4 Q9HBA0 5/20 0.39
CCR1 P32246 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
FABP4 P15090 1/20 0.35
CTSB P07858 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4145503 0.89 PTGES (0.41) PTGESTRPV4MEN1LMNAMAPT
SCHEMBL4134996 0.88 GAA (0.40) TRPV4CCR1L3MBTL1GAAPTGDR2
SCHEMBL4135431 0.86 TRPV4 (0.41) PTGESTRPV4MEN1LMNAMAPT
SCHEMBL4139745 0.81 PTGES (0.37) PTGESTRPV4MEN1LMNAMAPT
SCHEMBL4139740 0.81 PTGES (0.37) PTGESTRPV4MEN1LMNAMAPT
SCHEMBL4148564 0.79 CCR1 (0.40) TRPV4CCR1GAAFABP4ALDH1A1
SCHEMBL4140483 0.79 CCR1 (0.41) CCR1KMT2AGAAALDH1A1
SCHEMBL4134999 0.79 GSTO1 (0.44) TRPV4CCR1MEN1KMT2AL3MBTL1
SCHEMBL4129742 0.77 TRPV4 (0.39) PTGESTRPV4CCR1GAAFABP4
SCHEMBL4136134 0.76 GAA (0.41) PTGESTRPV4CCR1GAAPTGDR2

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 PTGES 1099/4885TRPV4 1/4885CCR1 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.