SCHEMBL5434124

SCHEMBL5434124

CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1COS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.34
NR1H2 P55055 3/20 0.33
ABCB1 P08183 1/20 0.33
HSD11B1 P28845 1/20 0.32
NR1H3 Q13133 2/20 0.32
PARP1 P09874 1/20 0.31
HCRTR2 O43614 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL2080999 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL2200885 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL8690955 1.00 GPR119 (0.34) GPR119NR1H2ABCB1HSD11B1NR1H3
SCHEMBL1526484 0.87 NR1H2 (0.35) NR1H2ABCB1PARP1
SCHEMBL4560424 0.87 PPM1D (0.32)
SCHEMBL24894673 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL9383410 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL1526483 0.87 NR1H2 (0.35) NR1H2ABCB1PARP1
SCHEMBL24826386 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1
SCHEMBL2387181 0.87 NR1H2 (0.35) GPR119NR1H2ABCB1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
US-9546173-B2 Substituted pyrrolo[3,4-d]pyrimidines as kinase inhibitors NOVARTIS AG (CH) 2017-01-17 US disclosed
EP-2897961-B1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-10-26 EP disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 WO disclosed
US-20150274733-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-01 US disclosed
EP-2897961-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2015-07-29 EP disclosed
WO-2014047020-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-27 WO disclosed
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
US-5972984-A LOW MOLECULAR WEIGHT PEPTIDYL COMPOUNDS THAT DO NOT HAVE A THIOL MOIETY. MERCK & CO., INC. (US) 1999-10-26 US disclosed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
US-5756528-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 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 (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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 GPR119 1464/4885NR1H2 4254/4885ABCB1 587/4885
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS HRH4, NR1I3, NR1I2 GPR119 2137/4885NR1H2 14/4885ABCB1 1649/4885
US-20150274733-A1 DIHYDROPYRROLIDINO-PYRIMIDINES AS KINASE INHIBITORS MAP3K1, MAP3K2, BRAF GPR119 1763/4885NR1H2 1113/4885ABCB1 680/4885

“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.