SCHEMBL4136024

SCHEMBL4136024

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
PPARG P37231 1/20 0.38
PTGDR Q13258 3/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
GAA P10253 2/20 0.35
HSD11B1 P28845 2/20 0.35
CCR1 P32246 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 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
SCHEMBL4136028 1.00 RAB9A (0.40) RAB9APPARGPTGDRPTGDR2GAA
SCHEMBL4131622 0.99 RAB9A (0.40) RAB9APPARGPTGDRPTGDR2GAA
SCHEMBL4131620 0.99 RAB9A (0.40) RAB9APPARGPTGDRPTGDR2GAA
SCHEMBL4136055 0.90 GAA (0.40) RAB9APTGDRPTGDR2GAACCR1
SCHEMBL4136057 0.90 GAA (0.40) RAB9APTGDRPTGDR2GAACCR1
SCHEMBL4135985 0.89 CNR1 (0.38) RAB9AGAACCR1CYP2C19TRPV4
SCHEMBL4135980 0.89 CNR1 (0.38) RAB9AGAACCR1CYP2C19TRPV4
SCHEMBL4142077 0.88 RAB9A (0.38) RAB9APPARGPTGDRPTGDR2HSD11B1
SCHEMBL4142079 0.88 RAB9A (0.38) RAB9APPARGPTGDRPTGDR2HSD11B1
SCHEMBL4130384 0.86 GAA (0.38) RAB9APTGDRPTGDR2GAACCR1

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 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

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 1676/4885PTGDR 316/4885

“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.