SCHEMBL4139410

SCHEMBL4139410

CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.50
CAPN1 P07384 2/20 0.48
TP53 P04637 1/20 0.44
IDH2 P48735 1/20 0.42
BMP1 P13497 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL4144369 0.89 ANPEP (0.50) CAPN1BMP1
SCHEMBL4130510 0.84 CAPN1 (0.47) FPR2CAPN1IDH2CTSLCTSS
SCHEMBL13872588 0.83 CAPN1 (0.46) FPR2CAPN1CTSLCTSS
SCHEMBL4133234 0.83 CAPN1 (0.46) FPR2CAPN1IDH2
SCHEMBL4128693 0.82 CAPN1 (0.46) FPR2CAPN1
SCHEMBL4129008 0.82 TRPV4 (0.57) CAPN1CTSSCTSK
SCHEMBL14605638 0.82 CAPN1 (0.46) FPR2CAPN1
SCHEMBL5435388 0.81 TRPV4 (0.57) CAPN1CTSSCTSK
SCHEMBL4140628 0.80 TP53 (0.35) FPR2TP53IDH2
SCHEMBL4140623 0.80 TP53 (0.35) FPR2TP53IDH2

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 FPR2 223/4885CAPN1 2031/4885TP53 4387/4885

“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.