SCHEMBL951903

SCHEMBL951903

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
ESR2 Q92731 1/20 0.39
ADORA1 P30542 2/20 0.38
MAPT P10636 3/20 0.36
STS P08842 4/20 0.35
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4298228 0.89 ADORA1 (0.43) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL556981 0.88 ADORA1 (0.47) NR1H2ESR2ADORA1STSSMN1; SMN2
SCHEMBL13382352 0.83 ESR2 (0.41) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL12354131 0.80 ESR2 (0.39) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL13382410 0.80 TMEM97 (0.46) SMN1; SMN2
SCHEMBL8232783 0.80 ADORA1 (0.43) ADORA1STSUSP2SMN1; SMN2
SCHEMBL19874374 0.79 NR1H2 (0.36) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL19874372 0.79 NR1H2 (0.36) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL16050467 0.79 ESR2 (0.39) NR1H2ESR2ADORA1MAPTSTS
SCHEMBL8252328 0.79 NR1H2 (0.42) NR1H2ESR2ADORA1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
CN-109923116-B [1,2,4] triazolo [1,5-a ] pyrimidine derivatives as PDE2 inhibitors 詹森药业有限公司 2022-12-06 CN disclosed
EP-3919056-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2021-12-08 EP disclosed
EP-2970308-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-14 EP disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
CN-111454200-A Compounds and their use for modulating hemoglobin 全球血液疗法股份有限公司 2020-07-28 CN disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1404682-B1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK AS (DK) 2005-09-14 EP disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
US-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2003-04-03 US disclosed
US-5376666-A Hypotensive agents, angiotension antagonist, enzyme inhibitors , treating congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-27 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 (6 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB NR1H2 1090/4885ESR2 1597/4885ADORA1 3277/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB NR1H2 1090/4885ESR2 1597/4885ADORA1 3277/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB NR1H2 1090/4885ESR2 1597/4885ADORA1 3277/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB NR1H2 1090/4885ESR2 1597/4885ADORA1 3277/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 NR1H2 3093/4885ESR2 4049/4885ADORA1 1695/4885
US-20030064979-A1 Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48 PTPRO, PTPRF, PTPA NR1H2 4602/4885ESR2 4443/4885ADORA1 3170/4885

“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.