SCHEMBL11985586

SCHEMBL11985586

CCC[C@@H](NC(=O)CC)C(=O)C(=O)NC1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.38
CTSL P07711 7/20 0.38
CTSK P43235 7/20 0.38
CTSS P25774 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11985580 1.00 CTSB (0.38) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL8236530 0.86 SMN1; SMN2 (0.39) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL11936283 0.86 SMN1; SMN2 (0.39) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL841615 0.83 L3MBTL1 (0.37) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL841614 0.83 L3MBTL1 (0.37) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL842048 0.83 SMN1; SMN2 (0.40) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL842049 0.83 SMN1; SMN2 (0.40) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL16328219 0.82 SMN1; SMN2 (0.38) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL13338252 0.82 SMN1; SMN2 (0.38) CTSBCTSLCTSKCTSSSMN1; SMN2
SCHEMBL14416450 0.82 CTSB (0.38) CTSBCTSLCTSKCTSS

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-8247532-B2 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-20070225297-A1 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-27 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 (2 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-20070225297-A1 Deuterated hepatitis C protease inhibitors PEPD, CTRL, CTSC CTSB 63/4885CTSL 24/4885CTSK 66/4885
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS PEPD, CTRL, CTSC CTSB 63/4885CTSL 24/4885CTSK 66/4885

“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.