SCHEMBL4827328

SCHEMBL4827328

COc1ccc(NCC(CC(C)C)NC(=O)[C@@H]2CCCC[C@@H]2C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.44
CTSL P07711 8/20 0.44
CTSK P43235 11/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ANPEP P15144 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4827335 0.90 CTSS (0.44) CTSSCTSLCTSKMEN1KMT2A
SCHEMBL4819482 0.89 SMN1; SMN2 (0.41) CTSSCTSKMEN1KMT2ASMN1; SMN2
SCHEMBL4818770 0.88 GRM4 (0.38) CTSSCTSKTSHRSMN1; SMN2
SCHEMBL4826952 0.87 GRM4 (0.44) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4826878 0.87 TAAR1 (0.43) CTSSCTSLCTSKTSHR
SCHEMBL4824852 0.87 TAAR1 (0.43) CTSSCTSLCTSKTSHR
SCHEMBL4819415 0.80 NPSR1 (0.43) CTSK
SCHEMBL4824909 0.80 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL4820586 0.79 CTSK (0.50) CTSSCTSLCTSKSMN1; SMN2EPHX2
SCHEMBL4823780 0.79 CTSK (0.50) CTSSCTSLCTSKSMN1; SMN2EPHX2

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-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF CTSS 2/4885CTSL 12/4885CTSK 1/4885

“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.