Sugi Predict

Sugi Predict / Compounds / SCHEMBL656776

SCHEMBL656776

SCHEMBL656776

CCOC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.66
▸ KMT2A Q03164 3/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ MAPT P10636 6/20 0.59
▸ CRHBP P24387 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ BCL9 O00512 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAOB P27338 1/20 0.54
▸ HPGD P15428 1/20 0.54

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
SCHEMBL9188865 0.96 PTGS2 (0.61) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL11264549 0.93 PTGS2 (0.59) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL9192509 0.93 PTGS2 (0.78) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL9192511 0.93 PTGS2 (0.78) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL14506304 0.93 PTGS2 (0.78) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL8725883 0.92 PTGS2 (0.57) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL7716238 0.92 PTGS2 (0.57) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL7716236 0.92 PTGS2 (0.57) PTGS2KMT2ANPSR1GAAMAPT
SCHEMBL13056615 0.88 KMT2A (0.61) PTGS2KMT2AGAAMAPTCRHBP
SCHEMBL14533446 0.87 PTGS2 (0.59) PTGS2KMT2ANPSR1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 — — US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 — — US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 — — EP disclosed
CN-113214109-B Nifurosol hapten, artificial antigen, preparation methods and applications thereof 中国农业大学 2022-09-23 — — CN disclosed
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 — — US disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 — — WO disclosed
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-12-14 — — US disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 — — US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 — — EP disclosed
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 — — WO disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 — — WO disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 — — US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 — — EP disclosed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 — — US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 — — US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 — — US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 — — 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 (5 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 PTGS2 2300/4885KMT2A 1095/4885NPSR1 3326/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KMT2A 2638/4885NPSR1 4505/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KMT2A 2638/4885NPSR1 4505/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 PTGS2 664/4885KMT2A 2638/4885NPSR1 4505/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885NPSR1 533/4885

“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.