SCHEMBL4585168

SCHEMBL4585168

CCCCCCCNC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 7/20 0.46
ASAH2 Q9NR71 1/20 0.45
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL4585179 1.00 EPHX1 (0.56) EPHX1SMN1; SMN2EPHX2ASAH2FNTA
SCHEMBL4585800 1.00 EPHX1 (0.56) EPHX1SMN1; SMN2EPHX2ASAH2FNTA
SCHEMBL4586041 0.85 EPHX1 (0.63) EPHX1SMN1; SMN2FNTAFNTBFAAH
SCHEMBL4585957 0.85 EPHX1 (0.63) EPHX1SMN1; SMN2FNTAFNTBFAAH
SCHEMBL14064432 0.85 EPHX1 (0.63) EPHX1SMN1; SMN2FNTAFNTBFAAH
SCHEMBL21724268 0.85 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL21724650 0.85 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL21724271 0.85 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL21724646 0.85 EPHX1 (0.52) EPHX1SMN1; SMN2EPHX2
SCHEMBL7769494 0.85 EPHX1 (0.71) EPHX1SMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507562-B2 Synthesis of (1)-beta-elemene, (-)-beta-elemenal, (-)-beta-elemenol, (-)-beta-elemene fluoride and their analogues, intermediates, and composition and uses thereof HYWE PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO disclosed
WO-2008113992-A2 GEL COMPOSITIONS COMPRISING UREA DERIVATIVES PLIVA HRVATSKA D.O.O. (HR) 2008-09-25 WO disclosed
EP-1773741-A4 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF LONG RANGE INTERNAT USA LTD IN (US) 2008-07-09 EP disclosed
US-20070135526-A1 Synthesis of (1)-beta-elemene, (-)-beta-elemenal, (-)-beta-elemenol, (-)-beta-elemene fluoride and their analogues, intermediates, and composition and uses thereof LONG RANGE INTERNATIONAL USA LIMITED, INC. 2007-06-14 US disclosed
EP-1773741-A2 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF Long Range International USA Limited, Inc. (US) 2007-04-18 EP disclosed
WO-2006016912-A2 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF LONG RANGE INTERNATIONAL USA LIMITED, INC. (US) 2006-02-16 WO disclosed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP disclosed
EP-0652749-A4 METHODS AND COMPOSITIONS FOR INHIBITING 5-g(a)-REDUCTASE ACTIVITY. ARCH DEV CORP (US) 1997-04-09 EP disclosed
EP-0652749-A1 METHODS AND COMPOSITIONS FOR INHIBITING 5$g(a)-REDUCTASE ACTIVITY ARCH DEVELOPMENT CORPORATION (US) 1995-05-17 EP disclosed
WO-1994001100-A1 METHODS AND COMPOSITIONS FOR INHIBITING 5α-REDUCTASE ACTIVITY ARCH DEVELOPMENT CORPORATION (US) 1994-01-20 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR EPHX1 1266/4885SMN1; SMN2 3438/4885EPHX2 867/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 EPHX1 1227/4885SMN1; SMN2 3340/4885EPHX2 895/4885

“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.