SCHEMBL4133724

SCHEMBL4133724

CC(C)C[C@H](N)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.42
CNR2 P34972 5/20 0.41
LARS1 Q9P2J5 3/20 0.38
CNR1 P21554 2/20 0.38
HSD11B1 P28845 1/20 0.38
SCN9A Q15858 3/20 0.38
BMP1 P13497 1/20 0.37
CACNA1B Q00975 1/20 0.36
MMP7 P09237 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
SCHEMBL4133718 0.82 CNR2 (0.41) CAPN1CNR2CNR1HSD11B1MMP7
SCHEMBL4139410 0.80 FPR2 (0.50) CAPN1BMP1
SCHEMBL5432915 0.80 TACR1 (0.41) CNR2CNR1HSD11B1BMP1MMP7
SCHEMBL4144369 0.80 ANPEP (0.50) CAPN1BMP1
SCHEMBL4129008 0.80 TRPV4 (0.57) CAPN1
SCHEMBL4139220 0.79 CAPN1 (0.47) CAPN1CNR2CNR1SCN9ACACNA1B
SCHEMBL4131294 0.79 CAPN1 (0.47) CAPN1CNR2CNR1CACNA1B
SCHEMBL4130510 0.79 CAPN1 (0.47) CAPN1CNR2CNR1HSD11B1CACNA1B
SCHEMBL4139223 0.78 CNR2 (0.36) CNR2CNR1HSD11B1
SCHEMBL4133234 0.78 CAPN1 (0.46) CAPN1CNR2CNR1CACNA1B

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 3 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 disclosed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP 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 CAPN1 2031/4885CNR2 57/4885LARS1 3477/4885

“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.