SCHEMBL4140140

SCHEMBL4140140

CC(C)C[C@H](NC(=O)C1CC2CCCCC2N1C(=O)OC(C)(C)C)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.43
F2 P00734 2/20 0.40
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
BMP1 P13497 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.37
NMUR1 Q9HB89 1/20 0.37
ELANE P08246 2/20 0.37
CCR1 P32246 1/20 0.35
ADAM17 P78536 1/20 0.35
EPHX2 P34913 1/20 0.35
CTSL P07711 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL4773661 0.92 CAPN1 (0.43) CAPN1F2PRSS1PRSS2PRSS3
SCHEMBL4136304 0.83 CAPN1 (0.53) CAPN1BMP1CCR1ADAM17EPHX2
SCHEMBL5434636 0.82 CAPN1 (0.51) CAPN1BMP1CCR1ADAM17EPHX2
SCHEMBL4127968 0.80 CAPN1 (0.40) CAPN1BMP1CCR1ADAM17EPHX2
SCHEMBL4139968 0.79 CAPN1 (0.44) CAPN1BMP1CCR1ADAM17EPHX2
SCHEMBL4130820 0.78 CAPN1 (0.47) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL4141710 0.78 CAPN1 (0.49) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL4142675 0.78 CAPN1 (0.40) CAPN1BMP1CCR1ADAM17TRPV4
SCHEMBL4129767 0.78 CAPN1 (0.47) CAPN1BMP1CCR1ADAM17CTSL
SCHEMBL4142973 0.78 CAPN1 (0.48) CAPN1BMP1CCR1ADAM17EPHX2

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 CAPN1 2031/4885F2 4288/4885PRSS1 2861/4885

“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.