Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048403

SCHEMBL4048403

SCHEMBL4048403

OCc1c(F)cc(O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.58
▸ ACHE P22303 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BACE1 P56817 1/20 0.37
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ ERBB2 P04626 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ HCAR1 Q9BXC0 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
SCHEMBL17311312 0.84 TAAR1 (0.48) TAAR1ACHECA12CA1CA9
SCHEMBL4681948 0.84 TAAR1 (0.48) TAAR1ACHECA12CA1CA9
SCHEMBL96131 0.80 CES2 (0.37) TAAR1CA12CA1CA9
SCHEMBL7911426 0.78 TAAR1 (0.58) TAAR1ACHECA12CA1CA9
SCHEMBL523766 0.78 ACHE (0.43) TAAR1ACHE
SCHEMBL16896662 0.76 TAAR1 (0.41) TAAR1
SCHEMBL24395252 0.76 TAAR1 (0.39) TAAR1
SCHEMBL3082888 0.76 TSHR (0.35) TAAR1ERBB2PIM1HKDC1
SCHEMBL9854552 0.76 TAAR1 (0.70) TAAR1CA12CA1CA9BACE1
SCHEMBL16693755 0.76 TAAR1 (0.56) TAAR1CA12CA1CA9BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120081885-A Substituted phenyl glycoside compound and preparation method and application thereof 浙江大学 2025-06-03 — — CN claimed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 — — EP claimed
CN-120081885-A Substituted phenyl glycoside compound and preparation method and application thereof 浙江大学 2025-06-03 — — CN disclosed
CN-120025778-A Polyurethane viscosity reducing adhesive for power battery and preparation method thereof 常州大学 2025-05-23 — — CN disclosed
US-12049444-B2 Monomethyl fumarate precursor drug compounds and pharmaceutical compositions thereof AGATHONBIO CO., LTD. (KR) 2024-07-30 — — US disclosed
US-20230416460-A1 COMPOUND, RESIN COMPOSITION, RESIN SHEET, RESIN CURED PRODUCT, AND LAMINATED SUBSTRATE TDK CORPORATION (JP) 2023-12-28 — — US disclosed
CN-116490355-A Compound, resin composition, resin sheet, resin cured product, and laminated substrate TDK株式会社 2023-07-25 — — CN disclosed
WO-2022209495-A1 COMPOUND, RESIN COMPOSITION, RESIN SHEET, RESIN CURED OBJECT, AND LAMINATED SUBSTRATE TDK株式会社 2022-10-06 — — WO disclosed
US-20210387939-A1 MONOMETHYL FUMARATE PRECURSOR DRUG COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF AGATHONBIO CO., LTD. (KR) 2021-12-16 — — US disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 — — US disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 — — US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 — — US disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 — — US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 — — US disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 — — US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 — — EP disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 — — EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 — — US disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 — — WO disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 — — 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 (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-20210387939-A1 MONOMETHYL FUMARATE PRECURSOR DRUG COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, FPGS, FAH TAAR1 4823/4885ACHE 1008/4885CA12 3452/4885
US-20210179578-A1 OX1 ANTAGONISTS HCRTR1, HCRTR2, OXTR TAAR1 29/4885ACHE 1780/4885CA12 4117/4885
US-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 TAAR1 319/4885ACHE 2342/4885CA12 3611/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 TAAR1 33/4885ACHE 307/4885CA12 4817/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 TAAR1 319/4885ACHE 2342/4885CA12 3611/4885
US-12049444-B2 Monomethyl fumarate precursor drug compounds and pharmaceutical compositions thereof FH, FPGS, FAH TAAR1 4823/4885ACHE 1008/4885CA12 3452/4885

“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.