SCHEMBL8624448

SCHEMBL8624448

CS(=O)(=O)Nc1cc2c(cc1Oc1cccc(F)c1F)C(=O)CC2

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 3/20 0.53

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
SCHEMBL11177588 0.91 PTGS2 (0.81) PTGS2PTGS1
Flosulide SCHEMBL195509 0.85 PTGS2 (1.00) PTGS2PTGS1
Flosulide SCHEMBL29454969 0.85 PTGS2 (1.00) PTGS2PTGS1
Flosulide SCHEMBL29383035 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL11182826 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL14280458 0.82 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL18214537 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8623711 0.80 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL11181115 0.78 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL3247329 0.76 PTGS2 (0.66) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811416-A ADMINISTERING TO TREAT DISORDERS SUCH AS DYSMENORRHEA, PRETERM LABOR, PREECLAMPSIA, OR FETAL GROWTH RETARDATION; ALSO HORMONE REPLACEMENT THERAPY, HYPERTENSION BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-22 US disclosed
EP-0844884-A2 ENDOTHELIN ANTAGONISTS AND ENDOTHELIN SYNTHASE INHIBITORS FOR THE PREVENTION AND TREATMENT OF UTERINE CONTRACTILITY DISORDERS, PREECLAMPSIA, ATHEROSCLEROTIC VASCULAR DISEASE, HYPERTENSION AND FOR HORMONE REPLACEMENT THERAPY CHWALISZ, Krzysztof (DE) 1998-06-03 EP disclosed
WO-1996035453-A2 ENDOTHELIN ANTAGONISTS AND ENDOTHELIN SYNTHASE INHIBITORS FOR THE PREVENTION AND TREATMENT OF INTERINE CONTRACTILITY DISORDERS, PREECLAMPSIA, ATHEROSCLEROTIC VASCULAR DISEASE, HYPERTENSION AND OR HORMONE REPLACEMENT THERAPY CHWALISZ KRISTOF (DE) 1996-11-14 WO disclosed