SCHEMBL875976

SCHEMBL875976

N#Cc1cc(C(=O)O)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
PLA2G7 Q13093 1/20 0.47
SRD5A2 P31213 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
AKR1C3 P42330 1/20 0.44
PPARG P37231 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
TTR P02766 1/20 0.44
SERPINE1 P05121 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
SCHEMBL10667536 0.91 NR4A2 (0.51) NR4A2MRGPRX4CYP1A2CYP2C9CYP2C19
SCHEMBL679345 0.82 SCN9A (0.51) MRGPRX4CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL875742 0.82 AR (0.49) CYP1A2CYP2C9CYP2C19RECQLKDM4E
SCHEMBL5552784 0.81 AKR1C3 (0.67) NR4A2MRGPRX4CYP2C9SRD5A2KDM4E
SCHEMBL15096334 0.81 AR (0.54) MRGPRX4SMN1; SMN2ALDH1A1HPGDAKR1C3
SCHEMBL9360272 0.81 AR (0.56) CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL875802 0.80 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19RECQL
SCHEMBL29769043 0.79 POLB (0.54) CYP1A2CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL875987 0.79 POLB (0.54) CYP1A2CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL29769048 0.79 AR (0.57) CYP1A2CYP2C9CYP2C19RECQLKDM4E

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 9 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-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
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 NR4A2 2592/4885MRGPRX4 1030/4885CYP1A2 2190/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 NR4A2 2592/4885MRGPRX4 1030/4885CYP1A2 2190/4885

“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.