SCHEMBL4136044

SCHEMBL4136044

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.52
CTSL P07711 3/20 0.46
CTSS P25774 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
TACR2 P21452 1/20 0.41
PHGDH O43175 8/20 0.41
HDAC3 O15379 1/20 0.39
CCR1 P32246 1/20 0.39
CTSK P43235 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
SCHEMBL4127488 0.82 TRPV4 (0.76) TRPV4CTSLCTSSTACR2CTSK
SCHEMBL4139857 0.82 TRPV4 (0.55) TRPV4CTSLCTSSCTSK
SCHEMBL4127926 0.82 TRPV4 (0.76) TRPV4CTSLCTSSTACR2CTSK
SCHEMBL4552230 0.80 TRPV4 (0.76) TRPV4CTSLCTSSTACR2CTSK
SCHEMBL4127971 0.79 TRPV4 (0.49) TRPV4CTSL
SCHEMBL13872514 0.79 TRPV4 (0.49) TRPV4CTSL
SCHEMBL4135455 0.78 TRPV4 (0.50) TRPV4CTSLMEN1KMT2ACTSK
SCHEMBL4049707 0.78 TRPV4 (0.45) TRPV4CTSLCTSSMEN1KMT2A
SCHEMBL4132366 0.78 TRPV4 (0.49) TRPV4CTSLCTSSMEN1KMT2A
SCHEMBL4139657 0.77 CAPN1 (0.51) TRPV4CTSLCTSSCCR1CTSK

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 1/4885CTSL 3815/4885CTSS 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.