SCHEMBL4144609

SCHEMBL4144609

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.57
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
OPRM1 P35372 3/20 0.41
PIN1 Q13526 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
NPY5R Q15761 1/20 0.38
CTSK P43235 3/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4144613 1.00 TRPV4 (0.57) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL13872379 0.89 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL4128542 0.89 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL5438645 0.89 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL4131501 0.86 TRPV4 (0.57) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL4131505 0.86 TRPV4 (0.57) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL5441608 0.86 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL4140827 0.83 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL13872385 0.83 TRPV4 (0.66) TRPV4CTSBCTSSOPRM1PIN1
SCHEMBL4552230 0.82 TRPV4 (0.76) TRPV4CTSBCTSSOPRM1PIN1

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 5 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
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 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.