Sugi Predict

Sugi Predict / Compounds / SCHEMBL83447

SCHEMBL83447

SCHEMBL83447

Brc1ccc([C@H]2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KDM1A O60341 5/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ RCOR1 Q9UKL0 2/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ HTR2C P28335 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ MDM2 Q00987 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL916179 1.00 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL2238431 1.00 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3KDM1A
Methyl Alcohol SCHEMBL8767666 0.93 TSHR (0.50) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL46155 0.86 TSHR (0.72) TSHR
SCHEMBL5853845 0.84 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL8250970 0.83 TSHR (0.40) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15348686 0.81 SLC6A2 (0.46) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL17548454 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL17548027 0.80 KDM1A (0.38) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL13606171 0.80 SLC6A2 (0.45) TSHRSLC6A2SLC6A4SLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119662578-A Styrene monooxygenase combined mutant and application thereof 中国科学院成都生物研究所 2025-03-21 — — CN disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
EP-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 — — EP disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 — — US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-8592417-B2 2-substituted-6-heterocyclic pyrimidone derivatives as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-26 — — US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 — — US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 — — US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 — — US disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 — — US disclosed
WO-2008078837-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-07-03 — — WO disclosed
WO-2008064817-A2 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CHIRAL EPOXIDES BY ADH REDUCTION OF KETONES SUBSTITUTED WITH ALPHA STARTING GROUPS AND CYCLISATION ARCHIMICA GMBH (DE) 2008-06-05 — — WO disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 — — EP disclosed
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 — — EP disclosed
EP-1789414-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-05-30 — — EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 — — WO disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 — — WO disclosed
WO-2006028290-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2006-03-16 — — WO disclosed
CN-1369565-A Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger SHANGHAI INST ORGANIC CHEM (CN) 2002-09-18 — — CN 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 (2 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-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF TSHR 3560/4885SLC6A2 3791/4885SLC6A4 4179/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF TSHR 3560/4885SLC6A2 3791/4885SLC6A4 4179/4885

“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.