SCHEMBL3657249

SCHEMBL3657249

O=C(O)Cc1coccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 2/20 0.37
HCAR2 Q8TDS4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
GRB2 P62993 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL11091048 0.77
SCHEMBL28561834 0.75 AKR1B1 (0.46) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL9946484 0.74
SCHEMBL18983058 0.73 ALOX5 (0.31)
SCHEMBL9700115 0.73 CYP3A4 (0.36)
SCHEMBL3878505 0.72
SCHEMBL4519337 0.72 NAT1 (0.38) AKR1B1SMN1; SMN2ALOX15MAPTPTGS2
SCHEMBL11249468 0.68 L3MBTL1 (0.43) SMN1; SMN2ALOX15MAPTTDP1KDM4E
Water SCHEMBL11257244 0.67 L3MBTL1 (0.42) SMN1; SMN2ALOX15MAPTTDP1KDM4E
SCHEMBL6511662 0.65 ABCC4 (0.60) AKR1B1CTDSP1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411985-A Antiinflammatory, treatment of septic shock, arthritis MERCK & CO., INC. (US) 1995-05-02 US claimed
CN-111233655-B Method for preparing glutaric acid from aldopentose diacid 北京大学 2021-08-17 CN disclosed
CN-111233655-A Method for preparing glutaric acid from aldopentose diacid 北京大学 2020-06-05 CN disclosed
CN-101827596-A Combinations comprising purine derivatives and other compounds and their use for the treatment of inflammatory and obstructive airways diseases NOVARTIS AG 2010-09-08 CN disclosed
EP-2211865-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES Novartis AG (CH) 2010-08-04 EP disclosed
US-20090238770-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 US disclosed
WO-2009050198-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-23 WO disclosed
CN-101180059-A Combinations of indacaterol derivatives with other substances for the treatment of airway diseases NOVARTIS AG (CH) 2008-05-14 CN disclosed
EP-1773839-A1 SYNTHESIS OF ALDONOLACTONES, ALDAROLACTONES, AND ALDARODILACTONES USING AZEOTROPHIC DISTILLATION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-04-18 EP disclosed
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-6162828-A IMMUNOLOGY; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; BONE DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-19 US disclosed
CN-1269722-A Method and composition for modulating responsiveness to corticosteroids BASF AG (DE) 2000-10-11 CN disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
US-6054487-A ADMINISTERING AN INTERLEUKIN-ONE BETA CONVERTING ENZYME SUFFICIENT TO INHIBIT PRODUCTION OF GAMMA-INTERFERON BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5411985-A Antiinflammatory, treatment of septic shock, arthritis MERCK & CO., INC. (US) 1995-05-02 US disclosed
US-5411985-A Antiinflammatory, treatment of septic shock, arthritis MERCK & CO., INC. (US) 1995-05-02 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 (2 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-20090238770-A1 Organic compounds LTB4R, LTB4R2, LTA4H AKR1B1 302/4885DUSP3 3016/4885PTPN5 3003/4885
US-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R AKR1B1 282/4885DUSP3 1817/4885PTPN5 3029/4885

“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.