SCHEMBL6519301

SCHEMBL6519301

COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.33
CA2 P00918 1/20 0.33
HSD11B1 P28845 1/20 0.32
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL16141939 1.00 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6519305 1.00 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6566948 0.91 MEN1 (0.38) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL15114583 0.88 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1820679 0.87 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7936504 0.86 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL17816955 0.86 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL16142024 0.86 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL17840419 0.86 BTK (0.38) KMT2AMEN1MAPK1ALDH1A1L3MBTL1
SCHEMBL28302110 0.85 KMT2A (0.39) KMT2AMEN1MAPK1ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 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 (5 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 MAPT 565/4885KMT2A 4335/4885MEN1 899/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 MAPT 565/4885KMT2A 4335/4885MEN1 899/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 MAPT 3132/4885KMT2A 4038/4885MEN1 4834/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 MAPT 3132/4885KMT2A 4038/4885MEN1 4834/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MAPT 3548/4885KMT2A 4192/4885MEN1 4813/4885

“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.