SCHEMBL4004775

SCHEMBL4004775

CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.44
CTSS P25774 5/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 1/20 0.38
AKT1 P31749 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3553060 1.00 CTSK (0.44) CTSKCTSSCA12CA1CA7
SCHEMBL7775510 0.84 LMNA (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2477747 0.84 LMNA (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2477749 0.84 LMNA (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4656265 0.78 MMP1 (0.40) CTSKCTSSSMN1; SMN2GAAKMT2A
SCHEMBL4656263 0.78 MMP1 (0.40) CTSKCTSSSMN1; SMN2GAAKMT2A
SCHEMBL2953752 0.76 CA12 (0.47) CTSKCTSSCA12CA1CA7
SCHEMBL1951583 0.76 CA12 (0.47) CTSKCTSSCA12CA1CA7
SCHEMBL1951666 0.76 CA12 (0.47) CTSKCTSSCA12CA1CA7
SCHEMBL5556773 0.75 AKT1 (0.39) CTSKCTSSCA12CA1CA7

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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
EP-2069356-A1 BISFURANYL PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2009-06-17 EP disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US disclosed
WO-2008013834-A1 BISFURANYL PROTEASE INHIBITORS GILEAD SCIENCES, INC., (US) 2008-01-31 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 (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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 CTSK 34/4885CTSS 50/4885CA12 3227/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 CTSK 34/4885CTSS 50/4885CA12 3227/4885

“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.