SCHEMBL190264

SCHEMBL190264

CC(C)(C)OC(=O)N1C(=O)C2C3C=CC(C3)C2C1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
NR1H2 P55055 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 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
SCHEMBL10101270 1.00 SMN1; SMN2 (0.44) SMN1; SMN2PKML3MBTL1HTTRAB9A
SCHEMBL8367896 0.84 SMN1; SMN2 (0.36) SMN1; SMN2PKML3MBTL1RAB9ATSHR
SCHEMBL14273610 0.84 SMN1; SMN2 (0.36) SMN1; SMN2PKML3MBTL1RAB9ATSHR
SCHEMBL14273611 0.84 SMN1; SMN2 (0.36) SMN1; SMN2PKML3MBTL1RAB9ATSHR
SCHEMBL189842 0.84 SMN1; SMN2 (0.36) SMN1; SMN2PKML3MBTL1RAB9ATSHR
SCHEMBL15107746 0.80 NR1H2 (0.35) SMN1; SMN2PKMALDH1A1CYP1A2NR1H2
SCHEMBL16478574 0.80 NR1H2 (0.35) SMN1; SMN2PKMALDH1A1CYP1A2NR1H2
SCHEMBL10083575 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PKML3MBTL1HTTRAB9A
SCHEMBL10083566 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PKML3MBTL1HTTRAB9A
SCHEMBL10083577 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PKML3MBTL1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
EP-1441720-B1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-01-04 EP disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 EP disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 US disclosed
US-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2003-07-17 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 (3 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-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2528/4885PKM 3458/4885L3MBTL1 1032/4885
US-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2528/4885PKM 3458/4885L3MBTL1 1032/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2528/4885PKM 3458/4885L3MBTL1 1032/4885

“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.