SCHEMBL5444152

SCHEMBL5444152

CC(C)C[C@H](NC(=O)c1cc2sccc2s1)C(=O)NCCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.59
CTSB P07858 8/20 0.41
CTSS P25774 7/20 0.41
CTSL P07711 4/20 0.38
CTSK P43235 5/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSF Q9UBX1 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5431334 0.89 TRPV4 (0.73) TRPV4CTSBCTSSCTSKTAS1R3
SCHEMBL5449491 0.88 TRPV4 (0.54) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL4136396 0.87 TRPV4 (0.70) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5429305 0.87 TRPV4 (0.63) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5438102 0.83 TRPV4 (0.66) TRPV4CTSBCTSSCTSKTAS1R3
SCHEMBL5449448 0.82 TRPV4 (0.62) TRPV4CTSBCTSSCTSKTAS1R3
SCHEMBL5436507 0.81 TRPV4 (0.62) TRPV4CTSBCTSSCTSKTAS1R3
SCHEMBL5438146 0.81 TRPV4 (0.62) TRPV4CTSBCTSSCTSKTAS1R3
SCHEMBL5435992 0.81 TRPV4 (0.52) TRPV4CTSBCTSSCTSLCTSK
SCHEMBL5443521 0.81 TRPV4 (0.61) 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.