Sugi Predict

Sugi Predict / Compounds / SCHEMBL517851

SCHEMBL517851

SCHEMBL517851

CC(C)(O)C(C)(C)OB(O)c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.48
▸ CYP3A4 P08684 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ HSD17B1 P14061 3/20 0.34
▸ HSD17B2 P37059 3/20 0.34
▸ TSHR P16473 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 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
SCHEMBL16223353 0.83 ACHE (0.35) ENPP2ALDH1A1LMNAACHECYP26B1
SCHEMBL1032711 0.82 ALDH1A1 (0.50) ENPP2CYP3A4ALDH1A1CA12CA2
SCHEMBL16010449 0.82 MGLL (0.39) ENPP2CYP26B1
SCHEMBL4592239 0.82 PGR (0.35) ENPP2ALDH1A1CHRNB2CHRNA4TSHR
SCHEMBL3518819 0.82 CYP26B1 (0.46) ENPP2CYP3A4ALDH1A1LMNAHSD17B10
SCHEMBL2300859 0.81 ENPP2 (0.57) ENPP2CYP3A4ALDH1A1CA2LMNA
SCHEMBL14830420 0.81 MGLL (0.51) ENPP2CA2CA5ACA14CA5B
SCHEMBL1128777 0.81 ESR1 (0.36) ENPP2CYP3A4ALDH1A1CA2LMNA
SCHEMBL119711 0.80 TRPV6 (0.39) ENPP2ALDH1A1CA2CA5ACA14
SCHEMBL2376954 0.80 ENPP2 (0.40) ENPP2CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 — — EP claimed
CN-114478500-A Coumarin two-photon initiator and synthesis method and application thereof 浙江大学 2022-05-13 — — CN claimed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 — — EP claimed
EP-3319941-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx, LLC (US) 2018-05-16 — — EP claimed
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 — — US claimed
WO-2017011231-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT LLC (US) 2017-01-19 — — WO claimed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 — — US claimed
US-12246014-B2 Azetidine derivatives LIGAND UK DEVELOPMENT LIMITED (GB) 2025-03-11 — — US disclosed
US-20240174922-A1 METHOD FOR PRODUCING CARBON QUANTUM DOTS KUREHA CORPORATION (JP) 2024-05-30 — — US disclosed
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 — — EP disclosed
CN-114478500-B Coumarin two-photon initiator and synthesis method and application thereof 浙江大学 2024-03-29 — — CN disclosed
EP-4317053-A1 METHOD FOR PRODUCING CARBON QUANTUM DOTS Kureha Corporation (JP) 2024-02-07 — — EP disclosed
CN-117050055-A Compounds containing amide pyridine rings 正大天晴药业集团股份有限公司 2023-11-14 — — CN disclosed
US-7329669-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-12 — — US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US disclosed
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-01-18 — — US disclosed
US-7071200-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-04 — — US disclosed
EP-1660091-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-05-31 — — EP disclosed
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-24 — — US disclosed
WO-2005007164-A1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 — — 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 (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-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 ENPP2 3993/4885CYP3A4 31/4885ALDH1A1 462/4885
US-12246014-B2 Azetidine derivatives FAAH2, FAAH, APEH ENPP2 200/4885CYP3A4 211/4885ALDH1A1 143/4885
US-20050043338-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 443/4885CYP3A4 1232/4885ALDH1A1 3084/4885
US-20070015778-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ENPP2 443/4885CYP3A4 1232/4885ALDH1A1 3084/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R ENPP2 13/4885CYP3A4 2682/4885ALDH1A1 3830/4885

“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.