SCHEMBL1960037

SCHEMBL1960037

COc1ccc(C)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ERN1 O75460 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ACHE P22303 2/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL42032 0.83 CA1 (0.50) ENPP2CA1CA2CA12CA7
SCHEMBL29636771 0.83 CA1 (0.50) ENPP2CA1CA2CA12CA7
SCHEMBL6886441 0.79 ATM (0.39) ENPP2CA1CA2MAPTGAA
SCHEMBL7238518 0.78 ERN1 (0.55) ENPP2CA1CA2CA12CA7
SCHEMBL29385414 0.78 TUBB4A (0.59) ENPP2CA1CA2CA12CA7
SCHEMBL518510 0.78 TUBB4A (0.59) ENPP2CA1CA2CA12CA7
SCHEMBL29952460 0.78 ERN1 (0.55) ENPP2CA1CA2CA12CA7
SCHEMBL9935773 0.77 ENPP2 (0.48) ENPP2CA1CA2CA12CA7
SCHEMBL3789771 0.77 ALDH1A1 (0.53) ENPP2CA1CA2CA12CA7
SCHEMBL645367 0.77 ENPP2 (0.48) ENPP2CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622967-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-01 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2025-08-14 US disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
WO-2025064567-A1 TRICYCLIC PHENOLS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2025-03-27 WO disclosed
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 PRAGMA THERAPEUTICS (FR) 2025-02-25 US disclosed
CN-111148744-B Novel heterocyclic compounds as MGLUR7 modulators 布拉格玛治疗公司 2025-02-14 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050245524-A1 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2005-11-03 US disclosed
WO-2005096784-A2 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2005-10-20 WO disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed
US-6835745-B2 Treating or inhibiting osteoporosis or bone demineralization, inflammatory bowel disease, prostatic hypertrophy, uterine leiomyomas, breast cancer, endometriosis, endometrial cardiovascular disease, Alzheimer's disease WYETH 2004-12-28 US disclosed
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents WYETH 2003-10-23 US 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 (13 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ENPP2 715/4885CA1 2925/4885CA2 426/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885CA1 2925/4885CA2 426/4885
US-20250257049-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 ENPP2 678/4885CA1 2025/4885CA2 1911/4885
US-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB ENPP2 879/4885CA1 140/4885CA2 2291/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ENPP2 520/4885CA1 4843/4885CA2 1067/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB ENPP2 879/4885CA1 140/4885CA2 2291/4885
US-12234218-B2 Heterocyclic compounds as modulators of mGluR7 GRM7, GRM1, GRM2 ENPP2 678/4885CA1 2025/4885CA2 1911/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE ENPP2 715/4885CA1 2925/4885CA2 426/4885
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents ESR2, ESR1, GPER1 ENPP2 3106/4885CA1 2950/4885CA2 1278/4885
US-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G ENPP2 1856/4885CA1 3214/4885CA2 247/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ENPP2 1745/4885CA1 3767/4885CA2 2818/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ENPP2 520/4885CA1 4843/4885CA2 1067/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ENPP2 1840/4885CA1 3990/4885CA2 2836/4885

“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.