SCHEMBL7385149

SCHEMBL7385149

CCOC(=O)c1csc(-c2c(OCc3ccccc3)ccc3ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
MAPT P10636 7/20 0.49
NPC1 O15118 6/20 0.49
MMP13 P45452 3/20 0.47
PTGER1 P34995 1/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL7474445 0.87 PTGER1 (0.52) RAB9AMAPTNPC1MMP13PTGER1
SCHEMBL7678617 0.87 RAB9A (0.47) RAB9AMAPTNPC1GAAPOLB
SCHEMBL6984908 0.83 RAB9A (0.57) RAB9AMAPTNPC1MMP13PTGER1
SCHEMBL7473845 0.82 MAPT (0.53) RAB9AMAPTNPC1GAAPOLB
SCHEMBL4720405 0.80 PTGER1 (0.74) RAB9AMAPTNPC1MMP13PTGER1
SCHEMBL15602720 0.79 RAB9A (0.53) RAB9AMAPTNPC1MMP13PTGER1
SCHEMBL22939882 0.78 MMP13 (0.62) RAB9AMAPTNPC1MMP13GAA
SCHEMBL14124905 0.78 RAB9A (0.50) RAB9AMAPTNPC1MMP13PTGER1
SCHEMBL6983909 0.77 RAB9A (0.56) RAB9AMAPTNPC1GAAPOLB
SCHEMBL2080725 0.76 RAB9A (0.68) RAB9AMAPTNPC1MMP13GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
CN-1261276-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-07-26 CN disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG RAB9A 827/4885MAPT 796/4885NPC1 614/4885

“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.