SCHEMBL4128542

SCHEMBL4128542

O=C(N[C@@H](CC(Cl)Cl)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.66
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
PIN1 Q13526 2/20 0.42
OPRM1 P35372 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
RAB9A P51151 1/20 0.41
TACR2 P21452 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
NPY5R Q15761 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL13872379 1.00 TRPV4 (0.66) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL5438645 0.98 TRPV4 (0.66) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4127926 0.93 TRPV4 (0.76) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4127488 0.93 TRPV4 (0.76) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4135447 0.93 TRPV4 (0.57) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL13872611 0.93 TRPV4 (0.65) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4127497 0.93 TRPV4 (0.65) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4552230 0.91 TRPV4 (0.76) TRPV4CTSBCTSSDRD2DRD3
SCHEMBL4144609 0.89 TRPV4 (0.57) TRPV4CTSBCTSSPIN1OPRM1
SCHEMBL4144613 0.89 TRPV4 (0.57) TRPV4CTSBCTSSPIN1OPRM1

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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 TRPV4 1/4885CTSB 3636/4885CTSS 3772/4885

“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.