SCHEMBL3906310

SCHEMBL3906310

CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](CO)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
BTK Q06187 1/20 0.40
NR1H2 P55055 1/20 0.38
KDM1A O60341 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5016759 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL4998586 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL31454797 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL31454839 1.00 NFKB1 (0.51) NFKB1NFKB2RELABTKNR1H2
SCHEMBL13628664 0.88 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058662 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5545237 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKKDM1A
SCHEMBL14511588 0.86 NFKB1 (0.50) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058659 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A
SCHEMBL6058660 0.86 NFKB1 (0.54) NFKB1NFKB2RELABTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-110139861-B Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors 奥赖恩公司 2022-12-30 CN disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-6630477-B1 Therapeutic nucleoside compound SMITHKLINE BEECHAM CORPORATION 2003-10-07 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 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 (7 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 NFKB1 3056/4885NFKB2 3524/4885RELA 4598/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 NFKB1 1936/4885NFKB2 2310/4885RELA 2189/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NFKB1 3086/4885NFKB2 3541/4885RELA 4571/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 NFKB1 1675/4885NFKB2 1644/4885RELA 3044/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 NFKB1 1681/4885NFKB2 1523/4885RELA 2873/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 NFKB1 2027/4885NFKB2 2289/4885RELA 2172/4885
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 NFKB1 3836/4885NFKB2 4420/4885RELA 4836/4885

“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.