SCHEMBL5449491

SCHEMBL5449491

CC(C)C[C@H](NC(=O)c1cccs1)C(=O)NCCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.54
CTSB P07858 7/20 0.49
CTSS P25774 7/20 0.49
CTSL P07711 5/20 0.46
HSPA5 P11021 1/20 0.44
HSPA2 P54652 1/20 0.44
CTSK P43235 4/20 0.41
CTSF Q9UBX1 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5444152 0.88 TRPV4 (0.59) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5431334 0.86 TRPV4 (0.73) TRPV4CTSBCTSSCTSKUTS2R
SCHEMBL4136396 0.83 TRPV4 (0.70) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5429305 0.83 TRPV4 (0.63) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5434009 0.83 TRPV4 (0.53) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5435992 0.82 TRPV4 (0.52) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL3914861 0.81 TRPV4 (0.44) TRPV4LMNAALDH1A1HTT
SCHEMBL5446781 0.80 TRPV4 (0.51) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5434744 0.80 TRPV4 (0.56) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5441701 0.79 TRPV4 (0.57) TRPV4CTSBCTSSCTSLCTSK

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-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
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 1/4885CTSB 3229/4885CTSS 1835/4885

“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.