SCHEMBL4999957

SCHEMBL4999957

CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.72
PRSS1 P07477 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
TMPRSS6 Q8IU80 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55
F10 P00742 1/20 0.54

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
SCHEMBL31506335 1.00 F2 (0.72) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6557386 0.99 F2 (0.73) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL19614605 0.92 F2 (0.70) F2PRSS1PRSS2PRSS3F10
SCHEMBL14378911 0.91 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4999986 0.89 F2 (0.67) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13140115 0.88 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL14543821 0.85 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL28553185 0.84 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL8000443 0.83 MAOB (0.59) F2
SCHEMBL4314299 0.82 PTPRC (0.49) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015421-B1 NEW PHENYLAMIDINE DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-31 EP claimed
EP-0931087-B1 NOVEL PYRANOSIDE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2002-04-03 EP claimed
US-6197753-B1 ANTIARTHRITIC AGENTS; ANTIHISTAMINES BOEHRINGER INGELHEIM KG (DE) 2001-03-06 US claimed
US-20190216790-A1 Methods for Treating Pruritis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed
EP-1343769-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1511737-B1 ARYLOXIMES MERCK PATENT GMBH (DE) 2010-02-17 EP disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7563790-B2 Pyridazine derivatives MERCK PATENT GMBH (DE) 2009-07-21 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-7544684-B2 Hydrazono-malonitriles MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist PFIZER INC. 2008-10-23 US disclosed
WO-2006011048-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION AND PAIN USING A COMBINATION OF A COX-2 SELECTIVE INHIBITOR AND A LTB4 RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2006-02-02 WO disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
WO-2003104205-A1 ARYLOXIMES MERCK PATENT GMBH (DE) 2003-12-18 WO disclosed
WO-2003039548-A1 HYDRAZONO-MALONITRILES MERCK PATENT GMBH (DE) 2003-05-15 WO disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 WO disclosed
EP-0931087-B1 NOVEL PYRANOSIDE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2002-04-03 EP disclosed
US-6197753-B1 ANTIARTHRITIC AGENTS; ANTIHISTAMINES BOEHRINGER INGELHEIM KG (DE) 2001-03-06 US disclosed
EP-0931087-A1 NOVEL PYRANOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1999-07-28 EP disclosed
WO-1998011119-A1 NOVEL PYRANOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1998-03-19 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 (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-20190216790-A1 Methods for Treating Pruritis ITCH, CYSLTR2, CYSLTR1 F2 3934/4885PRSS1 2826/4885PRSS2 2091/4885
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist LTB4R2, LTB4R, LTC4S F2 382/4885PRSS1 417/4885PRSS2 376/4885

“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.