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Sugi Predict / Compounds / SCHEMBL1787415

SCHEMBL1787415

SCHEMBL1787415

CC(C)(C)OC(=O)CO[C@@H]1C=C[C@@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ PTPRC P08575 2/20 0.34
▸ DDB1 Q16531 4/20 0.33
▸ CRBN Q96SW2 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ PLA2G5 P39877 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ ADCY5 O95622 1/20 0.31

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
SCHEMBL1787411 1.00 L3MBTL1 (0.36) L3MBTL1PTPN1PTPRCDDB1CRBN
SCHEMBL13271827 1.00 L3MBTL1 (0.36) L3MBTL1PTPN1PTPRCDDB1CRBN
SCHEMBL1787412 1.00 L3MBTL1 (0.36) L3MBTL1PTPN1PTPRCDDB1CRBN
SCHEMBL15018804 0.77 L3MBTL1 (0.37) L3MBTL1DDB1CRBNALDH1A1KDM4E
SCHEMBL18606331 0.75 POLB (0.41) L3MBTL1DDB1CRBNALDH1A1
SCHEMBL18606334 0.75 POLB (0.41) L3MBTL1DDB1CRBNALDH1A1
SCHEMBL3546415 0.75 POLB (0.41) L3MBTL1DDB1CRBNALDH1A1
SCHEMBL1787099 0.71 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL12607086 0.71 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL14020753 0.71 CYP11B1 (0.32) CYP11B1CYP11B2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 — — WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 — — 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 (1 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT L3MBTL1 2536/4885PTPN1 1270/4885PTPRC 694/4885

“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.