SCHEMBL3907992

SCHEMBL3907992

Nc1ccc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.57
TSHR P16473 3/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
DPP4 P27487 1/20 0.44
CYP3A4 P08684 2/20 0.42
TNKS2 Q9H2K2 1/20 0.41
MAPK1 P28482 1/20 0.41
GRM2 Q14416 1/20 0.41
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAOB P27338 1/20 0.40
ALOX5AP P20292 1/20 0.39

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
SCHEMBL4661325 0.89 KIF11 (0.57) KIF11TSHRGLAPOLBGAA
SCHEMBL14055312 0.85 TSHR (0.48) KIF11TSHRGLAPOLBGAA
SCHEMBL24031042 0.83 RORC (0.44) KIF11TNKS2RORCCA1CA2
SCHEMBL5851644 0.83 KIF11 (0.63) KIF11TSHRGLAPOLBGAA
SCHEMBL2153174 0.82 CYP3A4 (0.54) TSHRPOLBGAACYP3A4TNKS2
SCHEMBL6011433 0.81 KIF11 (0.61) KIF11TSHRGLAPOLBGAA
SCHEMBL24031041 0.81 HSD11B1 (0.60)
Methane SCHEMBL27412224 0.81 CYP3A4 (0.52) TSHRPOLBGAACYP3A4TNKS2
Hydrochloric Acid SCHEMBL28626436 0.81 CYP3A4 (0.52) TSHRPOLBGAACYP3A4TNKS2
SCHEMBL15330031 0.80 KIF11 (0.48) KIF11DPP4PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714661-B1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-30 EP disclosed
US-8748624-B2 Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-10 US disclosed
WO-2012162407-A1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885TSHR 4669/4885GLA 387/4885
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR KIF11 3236/4885TSHR 139/4885GLA 1295/4885

“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.