SCHEMBL6975008

SCHEMBL6975008

Cc1[nH]c(O)nc1-c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL9271812 0.79 HPGDS (0.33)
SCHEMBL6008799 0.69 PTGS1 (0.39) PTGS1PTGS2
SCHEMBL3618030 0.67 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL9424431 0.61 PTGS1 (0.39) PTGS1PTGS2
SCHEMBL15470616 0.60 PARP1 (0.39) PTGS1PTGS2
SCHEMBL4263732 0.60
SCHEMBL9119829 0.58 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL9119528 0.58 PTGS1 (0.54) PTGS1
SCHEMBL9122434 0.58 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL9424672 0.58 ADRA2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652874-B1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER LAMBERT CO (US) 2003-11-05 EP claimed
EP-0652874-A1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1995-05-17 EP claimed
US-5312821-A Antiulcer agents WARNER-LAMBERT COMPANY (US) 1994-05-17 US claimed
WO-1994003448-A1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1994-02-17 WO claimed
US-5240929-A Lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-08-31 US claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
EP-0652874-B1 2-HETEROCYCLIC-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER LAMBERT CO (US) 2003-11-05 EP disclosed
US-5312821-A Antiulcer agents WARNER-LAMBERT COMPANY (US) 1994-05-17 US disclosed
US-5240929-A Lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-08-31 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 PTGS1 76/4885PTGS2 99/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 PTGS1 76/4885PTGS2 99/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA PTGS1 593/4885PTGS2 1253/4885

“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.