SCHEMBL2173879

SCHEMBL2173879

Cn1cc(S(N)(=O)=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.49
IMPDH2 P12268 2/20 0.49
GPR84 Q9NQS5 1/20 0.47
HTR2A P28223 1/20 0.46
LMNA P02545 1/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.44
MAPK1 P28482 1/20 0.44
NR4A2 P43354 1/20 0.44
IDO1 P14902 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
POLB P06746 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
SCHEMBL10631604 0.88 CA2 (0.50) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL19336961 0.83 L3MBTL1 (0.55) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL630954 0.81 L3MBTL1 (0.54) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL11519226 0.81 L3MBTL1 (0.54) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL27249507 0.80 L3MBTL1 (0.64) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL27249699 0.79 L3MBTL1 (0.51) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL6632752 0.79 GPR84 (0.53) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL27249517 0.79 L3MBTL1 (0.51) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL19272391 0.78 L3MBTL1 (0.54) CA2L3MBTL1ALDH1A1IMPDH2GPR84
SCHEMBL30723491 0.78 CA2 (0.44) CA2L3MBTL1ALDH1A1CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024077391-A1 THIAZOLO[5,4-D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF UNIVERSITE DE MONTREAL (CA) 2024-04-18 WO disclosed
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-6683103-B2 SULFONAMIDES CONTAINING OXAZOLE AND SUBSTITUTED THIOPHENE RINGS, USEFUL FOR TREATING HYPERTENSION, CARDIOVASCULAR DISEASE, ASTHMA, PULMONARY HYPERTENSION, INFLAMMATORY DISEASES, VISION DEFECTS, MENSTRUAL DISORDERS, RENAL FAILURE TEXAS BIOTECHNOLOGY CORPORATION 2004-01-27 US disclosed
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 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 (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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS CA2 4340/4885L3MBTL1 2913/4885ALDH1A1 1786/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 CA2 1616/4885L3MBTL1 3174/4885ALDH1A1 525/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD CA2 3873/4885L3MBTL1 2973/4885ALDH1A1 1619/4885

“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.