SCHEMBL5435992

SCHEMBL5435992

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)NCCCN(C)S(=O)(=O)c2ccccc2C#N)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
CTSL P07711 7/20 0.38
CTSB P07858 4/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM17 P78536 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MMP1 P03956 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL5441701 0.91 TRPV4 (0.57) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL14388701 0.88 TRPV4 (0.56) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5431334 0.84 TRPV4 (0.73) TRPV4CTSBCTSSCTSK
SCHEMBL5449491 0.82 TRPV4 (0.54) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL4136396 0.82 TRPV4 (0.70) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5429305 0.81 TRPV4 (0.63) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5444152 0.81 TRPV4 (0.59) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL14388690 0.80 TRPV4 (0.61) TRPV4CTSLCTSSCTSKHTT
SCHEMBL5446781 0.79 TRPV4 (0.51) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5434009 0.78 TRPV4 (0.53) TRPV4CTSLCTSBCTSSCTSK

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 TRPV4 1/4885CTSL 1399/4885CTSB 3229/4885

“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.