SCHEMBL445154

SCHEMBL445154

COC(=O)C1(C)CCCC2(C)c3cc(OC)ccc3C(=NO)CC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
POLA1 P09884 6/20 0.50
SOD1 P00441 1/20 0.47
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLI1 P08151 2/20 0.38
ABHD16A O95870 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL445153 1.00 CYP3A4 (0.51) CYP3A4MAPTALDH1A1ALOX15POLA1
Hydrochloric Acid SCHEMBL443967 0.85 POLA1 (0.48) CYP3A4MAPTALDH1A1ALOX15POLA1
SCHEMBL7767289 0.77 POLA1 (0.81) CYP3A4MAPTPOLA1SOD1NR1H2
SCHEMBL19770990 0.77 POLA1 (0.81) CYP3A4MAPTPOLA1SOD1NR1H2
SCHEMBL12292033 0.77 POLA1 (0.81) CYP3A4MAPTPOLA1SOD1NR1H2
SCHEMBL24177920 0.77 POLA1 (0.81) CYP3A4MAPTPOLA1SOD1NR1H2
SCHEMBL19786219 0.77 POLA1 (0.81) CYP3A4MAPTPOLA1SOD1NR1H2
SCHEMBL19786283 0.74 POLA1 (0.47) CYP3A4MAPTALDH1A1ALOX15POLA1
SCHEMBL19786281 0.74 POLA1 (0.47) CYP3A4MAPTALDH1A1ALOX15POLA1
SCHEMBL29409958 0.70 CYP3A4 (0.69) CYP3A4MAPTALDH1A1ALOX15POLA1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-20130344476-A1 HEPATITIS C VIRUS VARIANTS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-26 US disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8501450-B2 Hepatitis C virus variants VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 US disclosed
EP-1951748-B1 HEPATITIS C VIRUS VARIANTS VERTEX PHARMA (US) 2013-07-24 EP disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
EP-1678202-B1 HCV NS3-NS4A PROTEASE RESISTANCE MUTANTS VERTEX PHARMA (US) 2012-06-13 EP disclosed
US-7494660-B2 HCV NS3-NS4A protease resistance mutants VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1958956-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-08-20 EP disclosed
EP-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP disclosed
US-20070231262-A1 Hepatitis C virus variants VERTEX PHARMACEUTICALS, INCORPORATED 2007-10-04 US disclosed
US-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED 2005-09-08 US disclosed
US-20050136400-A1 NS3-NS4A protease resistance mutants VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 US disclosed
EP-1320540-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-06-25 EP disclosed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 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 (4 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-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives CTRC, PEPD, CTSC CYP3A4 133/4885MAPT 4585/4885ALDH1A1 1451/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD CYP3A4 989/4885MAPT 4525/4885ALDH1A1 2218/4885
US-20050136400-A1 NS3-NS4A protease resistance mutants ATG4A, CUL4A, DPP4 CYP3A4 61/4885MAPT 3462/4885ALDH1A1 2526/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP CYP3A4 1121/4885MAPT 4461/4885ALDH1A1 2639/4885

“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.