SCHEMBL3342446

SCHEMBL3342446

Cc1cc(C(F)(F)F)ncc1-c1cc(C(=O)CNc2ccccc2OCCC(=O)O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 1/20 0.36
PPARD Q03181 3/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
RXRG P48443 2/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
AGTR1 P30556 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL3339506 0.89 RXRA (0.40) FFAR4FFAR1PPARDRXRARXRB
SCHEMBL3338862 0.88 RXRA (0.33) FFAR4FFAR1PPARDRXRARXRB
SCHEMBL3334994 0.88 FABP3 (0.34) PPARDRXRARXRBPPARARXRG
SCHEMBL3338808 0.88 MAPT (0.36) RXRARXRBPPARARXRGHTT
SCHEMBL3337478 0.85 RXRA (0.35) FFAR4FFAR1PPARDRXRARXRB
SCHEMBL3338220 0.84 FABP3 (0.36) FFAR4FFAR1PPARDKMT2ACYP3A4
SCHEMBL3337737 0.84 FABP3 (0.39) FFAR4FFAR1PPARDMEN1KMT2A
SCHEMBL16390859 0.84 FABP3 (0.39) FFAR4FFAR1PPARDRXRARXRB
SCHEMBL3337348 0.81 FFAR4 (0.39) FFAR4FFAR1CYP3A4KCNH2CACNA1C
SCHEMBL3342453 0.81 GPBAR1 (0.43) FFAR4RXRARXRBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422310-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2016-08-23 US claimed
US-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2015-07-02 US claimed
EP-2155194-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2015-01-21 EP claimed
US-8084614-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2011-12-27 US claimed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 US claimed
EP-2155194-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2010-02-24 EP claimed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO claimed

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-20150183800-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR FFAR4 235/4885FFAR1 205/4885PPARD 703/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR FFAR4 230/4885FFAR1 206/4885PPARD 715/4885

“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.