SCHEMBL4135576

SCHEMBL4135576

COc1ccccc1OCC(=O)N(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPV4 Q9HBA0 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
PTGDR Q13258 2/20 0.37
FABP4 P15090 1/20 0.36
GUSB P08236 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4127509 0.93 TRPV4 (0.41) TP53ALDH1A1ALOX15TSHRMAPK1
SCHEMBL4142748 0.91 TRPV4 (0.49) ALDH1A1TSHRMAPK1TRPV4L3MBTL1
SCHEMBL4139656 0.81 TRPV4 (0.40) TRPV4GAA
SCHEMBL4152821 0.79 TRPV4 (0.45) TRPV4L3MBTL1GAASMN1; SMN2
SCHEMBL4133461 0.78 TRPV4 (0.47) ALDH1A1TRPV4L3MBTL1GAAMAPT
SCHEMBL4140703 0.78 TRPV4 (0.37) ALDH1A1TRPV4GAA
SCHEMBL4141257 0.77 CCR1 (0.41) TP53ALDH1A1TRPV4GAAMAPT
SCHEMBL4141037 0.77 BMP1 (0.37) TRPV4MAPTFABP4SMN1; SMN2
SCHEMBL4135938 0.75 BMP1 (0.36) TRPV4FABP4
SCHEMBL5435367 0.75 BMP1 (0.40) ALDH1A1MAPK1TRPV4FABP4

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 2 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

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 TP53 4387/4885ALDH1A1 1565/4885ALOX15 1549/4885

“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.