SCHEMBL4131127

SCHEMBL4131127

CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
PPARG P37231 2/20 0.39
CTSL P07711 1/20 0.38
TRPV4 Q9HBA0 3/20 0.38
CNR1 P21554 2/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
EPHX1 P07099 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNA5 P22460 1/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5430207 0.93 RAB9A (0.41) RAB9APPARGCTSLTRPV4CNR1
SCHEMBL4131282 0.89 TRPV4 (0.44) RAB9APPARGCTSLTRPV4PTGDR
SCHEMBL4136296 0.88 RAB9A (0.45) RAB9APPARGTRPV4CNR1PTGDR
SCHEMBL4135954 0.81 CTSL (0.43) CTSLTRPV4ALDH1A1MAPT
SCHEMBL4127287 0.81 CAPN1 (0.47) RAB9ACTSLTRPV4CXCR2
SCHEMBL14605593 0.79 RAB9A (0.42) RAB9APPARGCNR1PTGDRPTGDR2
SCHEMBL14606018 0.78 RAB9A (0.42) RAB9APPARGTRPV4CNR1PTGDR
SCHEMBL4135643 0.78 TRPV4 (0.47) TRPV4
SCHEMBL4135639 0.77 TRPV4 (0.45) TRPV4
SCHEMBL4152609 0.76 TRPV4 (0.40) RAB9ATRPV4CNR1PTGDRPTGDR2

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 4 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 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 RAB9A 3595/4885PPARG 1676/4885CTSL 3815/4885

“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.