SCHEMBL4135552

SCHEMBL4135552

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.42
BMP1 P13497 1/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 1/20 0.42
ADAM17 P78536 1/20 0.41
EGFR P00533 1/20 0.40
AAK1 Q2M2I8 3/20 0.40
REN P00797 2/20 0.37
CA2 P00918 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 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
SCHEMBL4135954 0.85 CTSL (0.43) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL5430581 0.84 CTSL (0.45) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL4140210 0.82 BMP1 (0.45) BMP1CTSLADAM17
SCHEMBL4140203 0.81 ADAM17 (0.42) BMP1CTSLADAM17CA2
SCHEMBL4135102 0.80 TRPV4 (0.59) BMP1CTSLCTSKCTSSCTSB
SCHEMBL4144861 0.80 TRPV4 (0.59) BMP1CTSLCTSKCTSSCTSB
SCHEMBL4139657 0.79 CAPN1 (0.51) CAPN1CTSLCTSKCTSSCTSB
SCHEMBL13872427 0.78 HTT (0.45) BMP1ADAM17
SCHEMBL4135548 0.74 ADAM17 (0.38) BMP1ADAM17AAK1
SCHEMBL4131505 0.74 TRPV4 (0.57) BMP1CTSLCTSKCTSSCTSB

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
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 2031/4885BMP1 2172/4885CTSL 3815/4885

“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.