SCHEMBL1894728

SCHEMBL1894728

C#C[C@@](C)(NC(=O)NO)c1ccc(Oc2ccc(F)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.44
MMP1 P03956 6/20 0.40
MMP13 P45452 6/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
TBXA2R P21731 1/20 0.34
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL6436758 1.00 ALOX5 (0.44) ALOX5MMP1MMP13MMP2MMP9
SCHEMBL16927790 0.75 ALOX5 (0.63) ALOX5
SCHEMBL1614075 0.75 ALOX5 (0.63) ALOX5
SCHEMBL7638013 0.68 ALOX5 (0.54) ALOX5
SCHEMBL4540626 0.68 ALOX5 (0.42) ALOX5MMP1MMP13MMP2MMP9
SCHEMBL19460245 0.66 ALOX5 (0.60) ALOX5TBXA2R
SCHEMBL1894729 0.66 ALOX5 (0.60) ALOX5TBXA2R
SCHEMBL8421587 0.63 ALOX5 (0.49) ALOX5
SCHEMBL9223177 0.62 ALOX5 (0.45) ALOX5
SCHEMBL8783684 0.62 NR4A2 (0.45) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296509-A1 ACNE TREATMENT ZOUBOULIS CHRISTOS C (DE) 2017-10-19 US claimed
US-20150320697-A1 Methods For Bone Treatment By Modulating An Arachidonic Acid Metabolic or Signaling Pathway ACCELALOX, INC. 2015-11-12 US claimed
EP-1947942-B1 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX INC (US) 2015-07-29 EP claimed
US-8980851-B2 Methods for bone treatment by modulating an arachidonic acid metabolic or signaling pathway ACCELALOX, INC. (US) 2015-03-17 US claimed
US-20110124717-A1 Methods for Bone Treatment by Modulating an Arachidonic Acid Metabolic or Signaling Pathway ACCELALOX, INC. (US) 2011-05-26 US claimed
US-7829535-B2 for promoting osteogenesis to accelerate or enhance bone fracture healing, treat bone defects, and enhance bone formation are disclosed. The methods modulate an arachidonic acid metabolic or signaling pathway in general, and, in particular, utilize 5-lipoxygenase inhibitors. ACCELALOX, INC. (US) 2010-11-09 US claimed
WO-2009105723-A2 NOVEL METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2009-08-27 WO claimed
US-20080280826-A1 for promoting osteogenesis to accelerate or enhance bone fracture healing, treat bone defects, and enhance bone formation are disclosed. The methods modulate an arachidonic acid metabolic or signaling pathway in general, and, in particular, utilize 5-lipoxygenase inhibitors. ACCELALOX, INC. (US) 2008-11-13 US claimed
EP-1947942-A2 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY Accelalox, Inc. (US) 2008-07-30 EP claimed
WO-2007022427-A9 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX INC (US) 2007-10-18 WO claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
US-20040259920-A1 Lipoxygenase inhibitors as antiinflammatory agents for treatment of acne by mouth or topical application ZOUBOULIS CHRISTOS C (DE) 2004-12-23 US claimed
US-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. 2002-10-03 US claimed
EP-0888127-B1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2001-12-12 EP claimed
US-6136839-A USING A SULFONE OR SULFOAMIDE BENZENE COMPOUND G. D. SEARLE & CO. (US) 2000-10-24 US claimed
EP-0888127-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1999-01-07 EP claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1997029776-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1997-08-21 WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor ALOX5, ALOX15B, ALOX15 ALOX5 1/4885MMP1 664/4885MMP13 1311/4885

“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.