SCHEMBL8300673

SCHEMBL8300673

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
METAP1 P53582 1/20 0.35
CTSL P07711 5/20 0.33
CTSB P07858 5/20 0.33
CTSK P43235 5/20 0.33
CTSS P25774 4/20 0.33
CAPN1 P07384 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL13350518 1.00 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AGAAMETAP1CTSL
SCHEMBL13350467 0.94 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AGAAMAPTALDH1A1
SCHEMBL13338252 0.85 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AGAAMETAP1CTSL
SCHEMBL16328219 0.85 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AGAAMETAP1CTSL
SCHEMBL14308111 0.85 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AGAAMETAP1MAPT
SCHEMBL16317031 0.82 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AGAAMETAP1MAPT
SCHEMBL15338725 0.81 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAAMETAP1CTSL
SCHEMBL12467348 0.81 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AGAAMETAP1CTSL
SCHEMBL842048 0.79 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AGAACTSLCTSB
SCHEMBL14943216 0.79 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AGAAMAPTALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
EP-2332935-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
US-7662958-B2 e.g. N-[3-{1-[(cyclobutyl)amino]-4-hydroxy-2-oxo-1,2-dihydro-quinolin -3-yl}-1,1-dioxo-1,4-dihydro-1 lambda 6-thieno[2,3-e][1,2,4]thiadiazin-7-yl)methyl]methane-sulfonamide; viricides for infections caused by an RNA-containing virus; hepatitis C virus (HCV) polymerase inhibitor; liver cirrhosis ABBVIE INC. 2010-02-16 US disclosed
US-20080214528-A1 ANTI-INFECTIVE AGENTS ABBVIE INC. 2008-09-04 US disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 WO 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-20080214528-A1 ANTI-INFECTIVE AGENTS NQO2, RSU1, RRS1 SMN1; SMN2 3505/4885RAB9A 238/4885GAA 3089/4885

“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.