SCHEMBL5434643

SCHEMBL5434643

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N(C)CCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSS P25774 3/20 0.47
TRPA1 O75762 1/20 0.42
TRPV4 Q9HBA0 1/20 0.38
PHGDH O43175 1/20 0.38
CTSB P07858 3/20 0.37
CTSK P43235 2/20 0.36
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5446781 0.89 TRPV4 (0.51) CTSLCTSSTRPA1TRPV4PHGDH
SCHEMBL14342661 0.76 CTSL (0.43) CTSLCTSSTRPA1PHGDHCTSB
SCHEMBL4072175 0.76 CTSL (0.43) CTSLCTSSTRPA1PHGDHCTSB
SCHEMBL29590366 0.71 CTSL (0.48) CTSLCTSSTRPA1CTSBCTSK
SCHEMBL14342619 0.71 CTSL (0.48) CTSLCTSSTRPA1CTSBCTSK
SCHEMBL5581546 0.71 CTSL (0.48) CTSLCTSSTRPA1CTSBCTSK
SCHEMBL4187902 0.71 CTSL (0.46) CTSLCTSSTRPA1CTSBCTSK
SCHEMBL5447858 0.71 CTSS (0.45) CTSLCTSSTRPA1CTSBCTSK
SCHEMBL5431334 0.71 TRPV4 (0.73) CTSSTRPV4CTSBCTSK
SCHEMBL5434009 0.71 TRPV4 (0.53) CTSLCTSSTRPV4CTSBCTSK

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 CTSL 1399/4885CTSS 1835/4885TRPA1 6/4885

“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.