SCHEMBL4136156

SCHEMBL4136156

CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)cs1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.48
CTSS P25774 4/20 0.48
CTSB P07858 2/20 0.48
BMP1 P13497 1/20 0.47
CAPN1 P07384 3/20 0.46
CTSL P07711 6/20 0.45
CTSK P43235 3/20 0.38
ADAM17 P78536 1/20 0.38
CCR1 P32246 1/20 0.37
CACNA1B Q00975 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ULK1 O75385 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
SCHEMBL4136447 0.88 TRPV4 (0.50) TRPV4CTSSCTSBBMP1CAPN1
SCHEMBL4147519 0.85 TRPV4 (0.66) TRPV4CTSSCTSBBMP1CAPN1
SCHEMBL5434875 0.83 TRPV4 (0.66) TRPV4CTSSCTSBBMP1CAPN1
SCHEMBL4142150 0.82 TRPV4 (0.51) TRPV4CTSSBMP1CAPN1CTSL
SCHEMBL4136152 0.81 BMP1 (0.39) TRPV4CTSSCTSBBMP1CAPN1
SCHEMBL4127268 0.81 CTSK (0.53) TRPV4CTSSCTSBBMP1CAPN1
SCHEMBL4142303 0.81 CAPN1 (0.48) TRPV4CTSSBMP1CAPN1CTSL
SCHEMBL4139727 0.81 BMP1 (0.47) TRPV4CTSSBMP1CAPN1CTSL
SCHEMBL4135948 0.80 BMP1 (0.49) TRPV4BMP1CAPN1CTSLCTSK
SCHEMBL5435371 0.80 BMP1 (0.50) TRPV4BMP1CAPN1CTSLCTSK

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
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

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 1/4885CTSS 3772/4885CTSB 3636/4885

“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.