SCHEMBL698883

SCHEMBL698883

Cc1cccc(B(O)O)c1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ACHE P22303 3/20 0.39
ENPP2 Q13822 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KAT6A Q92794 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL29469215 1.00 ALDH1A1 (0.40) ALDH1A1ACHEENPP2CYP1A2CYP2A6
SCHEMBL9945884 0.86 ALDH1A1 (0.37) ALDH1A1ACHEENPP2CYP1A2CYP2A6
SCHEMBL25745449 0.85 ENPP2 (0.42) ACHEENPP2CA7
SCHEMBL9945888 0.81 ACHE (0.39) ALDH1A1ACHECYP1A2CYP2A6TRPA1
SCHEMBL4384 0.78 CES2 (0.43) ACHEENPP2
SCHEMBL29952655 0.78 HPGD (0.40) CA2
SCHEMBL29399046 0.78 CES2 (0.43) ACHEENPP2
SCHEMBL10091339 0.78 HPGD (0.40) CA2
SCHEMBL21118206 0.77 ALDH1A1 (0.34) ALDH1A1CYP1A2TSHRSCN8A
SCHEMBL2375546 0.76 ADRB1 (0.39) ALDH1A1ENPP2TRPA1ATMCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 EP disclosed
US-20250057852-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2025-02-20 US disclosed
EP-3965884-B1 MODULATORS OF THR-BETA WITH A DIOXO-1,2,4-TRIAZYL HEAD GROUP ALIGOS THERAPEUTICS INC (US) 2025-01-15 EP disclosed
US-12180192-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2024-12-31 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
WO-2010068242-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 WO disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
EP-2027230-A1 RED EMITTER COMPLEXES OF IR(III) AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-25 EP disclosed
WO-2007143201-A1 RED EMITTER COMPLEXES OF IR(III) AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-13 WO disclosed
US-20070278936-A1 Red emitter complexes of IR(III) and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-06 US disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 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 (8 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-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR ALDH1A1 3330/4885ACHE 1800/4885ENPP2 281/4885
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A ALDH1A1 2437/4885ACHE 3111/4885ENPP2 1395/4885
US-20070278936-A1 Red emitter complexes of IR(III) and devices made with such compounds IK, TBL3, RTN3 ALDH1A1 2563/4885ACHE 3792/4885ENPP2 2764/4885
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ALDH1A1 4580/4885ACHE 3984/4885ENPP2 1141/4885
US-20250057852-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 ALDH1A1 559/4885ACHE 4799/4885ENPP2 4090/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885ACHE 3075/4885ENPP2 2123/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2437/4885ACHE 3111/4885ENPP2 1395/4885
US-12180192-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR ALDH1A1 3049/4885ACHE 1974/4885ENPP2 384/4885

“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.