Sugi Predict

Sugi Predict / Compounds / SCHEMBL187809

SCHEMBL187809

SCHEMBL187809

OB(O)c1cccc(C(F)(F)F)c1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.41
▸ MGLL Q99685 2/20 0.38
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.32

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
SCHEMBL29955679 1.00 CA2 (0.41) CA2MGLLGABRA1GABRB2NOTUM
SCHEMBL4288 0.80 ENPP2 (0.41) CA2MGLLENPP2LMNAGAA
SCHEMBL29410834 0.80 ENPP2 (0.41) CA2MGLLENPP2LMNAGAA
SCHEMBL396017 0.79 CA2 (0.55) CA2GABRA1GABRB2P2RX7PDK2
SCHEMBL28702822 0.79 TAS2R14 (0.41) CA2MGLLNOTUMP2RX7ENPP2
SCHEMBL1669643 0.79 HSD11B1 (0.40) CA2MGLLNOTUMP2RX7ENPP2
SCHEMBL29525986 0.79 MGLL (0.38) CA2MGLLNOTUMP2RX7
SCHEMBL31156210 0.79 TAS2R14 (0.41) CA2MGLLNOTUMP2RX7ENPP2
SCHEMBL1396708 0.79 MGLL (0.38) CA2MGLLNOTUMP2RX7ENPP2
SCHEMBL1198104 0.79 MGLL (0.38) CA2MGLLNOTUMP2RX7

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836543-A Preparation method of watch hardware key 东莞市进升五金制品有限公司 2023-10-03 — — CN claimed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 — — US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 — — US disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 — — US disclosed
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-02-08 — — US disclosed
CN-116836543-A Preparation method of watch hardware key 东莞市进升五金制品有限公司 2023-10-03 — — CN disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 — — US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 — — US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 — — US disclosed
EP-4051678-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-09-07 — — EP disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 — — WO disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 — — WO disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 — — US disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 — — US disclosed
EP-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 — — EP disclosed
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 — — US disclosed
CN-102414194-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2012-04-11 — — CN disclosed
EP-2401265-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2012-01-04 — — EP disclosed
WO-2010099054-A2 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-09-02 — — WO disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 — — 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 (7 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA2 1127/4885MGLL 2399/4885GABRA1 4196/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA2 1127/4885MGLL 2399/4885GABRA1 4196/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA2 1127/4885MGLL 2399/4885GABRA1 4196/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS CA2 1008/4885MGLL 2464/4885GABRA1 4216/4885
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA2 1127/4885MGLL 2399/4885GABRA1 4196/4885
US-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 CA2 2614/4885MGLL 851/4885GABRA1 935/4885
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS CA2 1008/4885MGLL 2464/4885GABRA1 4216/4885

“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.