SCHEMBL7206818

SCHEMBL7206818

CC(C#Cc1ccc(Oc2ccc(F)cc2)s1)N(O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.64
EPHX2 P34913 2/20 0.64
ACACB O00763 1/20 0.55
ACACA Q13085 1/20 0.55
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9047623 0.91 ACACB (0.55) ALOX5EPHX2ACACBACACA
SCHEMBL9055523 0.89 ACACB (0.65) ALOX5EPHX2ACACBACACA
SCHEMBL9045275 0.88 ACACB (0.53) ALOX5EPHX2ACACBACACA
SCHEMBL9047637 0.84 ALOX5 (0.65) ALOX5EPHX2ACACBACACAMAPT
SCHEMBL9046363 0.83 ALOX5 (0.55) ALOX5EPHX2ACACBACACA
SCHEMBL9048145 0.83 ALOX5 (0.59) ALOX5EPHX2ACACBACACA
SCHEMBL8883050 0.82 ALOX5 (0.72) ALOX5EPHX2ACACBACACA
SCHEMBL8883053 0.82 ALOX5 (0.72) ALOX5EPHX2ACACBACACA
SCHEMBL9049700 0.81 ALOX5 (0.53) ALOX5EPHX2ACACBACACA
SCHEMBL8308830 0.79 ALOX5 (0.64) ALOX5EPHX2ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731688-B1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LAB (US) 2003-03-05 EP claimed
US-5676931-A DRUG DELIVERY ABBOTT LABORATORIES (US) 1997-10-14 US claimed
EP-0731688-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS Abbott Laboratories (US) 1996-09-18 EP claimed
WO-1995015151-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LABORATORIES (US) 1995-06-08 WO 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
EP-0731688-B1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LAB (US) 2003-03-05 EP disclosed
US-5676931-A DRUG DELIVERY ABBOTT LABORATORIES (US) 1997-10-14 US disclosed
EP-0540673-B1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1996-10-16 EP disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
EP-0731688-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS Abbott Laboratories (US) 1996-09-18 EP disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
WO-1995015151-A1 AEROSOL DRUG FORMULATIONS FOR USE WITH NON-CFC PROPELLANTS ABBOTT LABORATORIES (US) 1995-06-08 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 (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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 ALOX5 25/4885EPHX2 122/4885ACACB 2818/4885

“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.