SCHEMBL878360

SCHEMBL878360

C=Cc1ccc(Oc2cncc(C(F)(F)F)c2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
ESRRA P11474 2/20 0.38
SCN9A Q15858 1/20 0.38
AR P10275 5/20 0.37
VEGFA P15692 1/20 0.37
EPAS1 Q99814 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL875756 0.88 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL875082 0.83 SCN9A (0.44) ALDH1A1ESRRASCN9AAR
SCHEMBL30997470 0.80 POLB (0.47) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL876302 0.79 SLC22A12 (0.42) SLC22A12SCN9AAREPAS1
SCHEMBL875862 0.79 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2ESRRASCN9AAR
SCHEMBL875607 0.79 AR (0.52) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL29642136 0.79 AR (0.52) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL875413 0.77 AR (0.43) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL24385793 0.76 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL875805 0.74 AR (0.56) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CYP11B1 525/4885CYP11B2 631/4885ALDH1A1 3675/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CYP11B1 525/4885CYP11B2 631/4885ALDH1A1 3675/4885

“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.