Sugi Predict

Sugi Predict / Compounds / SCHEMBL3614552

SCHEMBL3614552

SCHEMBL3614552

CC(=O)ONCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP2C9 P11712 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL4936119 0.89 LMNA (0.52) ALDH1A1SMN1; SMN2CA1CA2EPHX2
SCHEMBL6429495 0.83 THRB (0.48) ALDH1A1CYP2C9SMN1; SMN2THRBIDO1
SCHEMBL11176841 0.83 THRB (0.48) ALDH1A1CYP2C9SMN1; SMN2THRBIDO1
SCHEMBL28177367 0.83 PPID (0.46) ALDH1A1CYP2C9SMN1; SMN2CA1CA2
SCHEMBL13057555 0.82 CA2 (0.46) ALDH1A1THRBCA1CA2GAA
SCHEMBL5499261 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C9SMN1; SMN2THRBIDO1
SCHEMBL18405558 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CA1CA2GAA
SCHEMBL6848244 0.81 PPID (0.51) ALDH1A1SMN1; SMN2CA1CA2EPHX2
SCHEMBL2542923 0.80 CYP1A2 (0.47) CYP2C9THRBIDO1CA1CA2
SCHEMBL21611670 0.80 STING1 (0.54) ALDH1A1SMN1; SMN2THRBIDO1EPHX2

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-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 — — CN claimed
CN-103007253-B Pharmaceutical composition containing beta-galactosylation azo ene glycol and preparation method thereof UNIV BEIJING CHEMICAL 2015-06-17 — — CN claimed
CN-103007253-A Pharmaceutical composition containing beta-galactosylation azo ene glycol and preparation method thereof UNIV BEIJING CHEMICAL 2013-04-03 — — CN claimed
CN-101641093-A Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP US 2010-02-03 — — CN claimed
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 — — CN claimed
CN-1434811-A Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2003-08-06 — — CN claimed
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-03-30 — — US disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 — — EP disclosed
US-11261201-B2 TRNA synthetase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-03-01 — — US disclosed
EP-3898632-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2021-10-27 — — EP disclosed
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 — — US disclosed
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 — — WO disclosed
EP-3697791-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-08-26 — — EP disclosed
US-4517330-A ACID COPOLYMER CROSSLINKING WITH TRANSITION METAL ROHM AND HAAS COMPANY (US) 1985-05-14 — — US disclosed
EP-0122788-A2 Self-leveling polish compositions and polymer compositions useful therein ROHM AND HAAS COMPANY (US) 1984-10-24 — — EP disclosed
EP-0120712-A2 Polish compositions and polish vehicles useful therein ROHM AND HAAS COMPANY (US) 1984-10-03 — — EP disclosed
US-4460734-A ETHYLENE OXIDE FATTY ALCOHOL ADDUCT, ADDITION POLYMER ROHM AND HAAS COMPANY (US) 1984-07-17 — — US disclosed
US-4075344-A 3-ALKOXYISOQUINOLINES FOR HYPOTENSIVE AND VASODILATING EFFECTS MEAD JOHNSON & COMPANY (US) 1978-02-21 — — US disclosed
US-4015006-A 3(2H)-Isoquinolones therapeutic process MEAD JOHNSON & COMPANY (US) 1977-03-29 — — US disclosed
US-3956363-A Substituted indenyl acetic acids MERCK & CO., INC. (US) 1976-05-11 — — 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 (3 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 ALDH1A1 2254/4885CYP2C9 3907/4885SMN1; SMN2 3851/4885
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 ALDH1A1 2254/4885CYP2C9 3907/4885SMN1; SMN2 3851/4885
US-11261201-B2 TRNA synthetase inhibitors TRMT1, AARS1, GARS1 ALDH1A1 2254/4885CYP2C9 3907/4885SMN1; SMN2 3851/4885

“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.