SCHEMBL2999309

SCHEMBL2999309

N#Cc1cc(C(F)(F)F)ncc1-c1cc(S(=O)(=O)N2CCCC(F)(F)c3ccccc32)c(OCCC(=O)O)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EIF4EBP1 Q13541 2/20 0.31
TRPV4 Q9HBA0 1/20 0.30
P2RX7 Q99572 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2998421 0.97 PDK2 (0.32) EIF4EBP1TRPV4P2RX7
SCHEMBL2996817 0.96 RXRA (0.33) RXRARXRBRXRGEIF4EBP1TRPV4
SCHEMBL3001181 0.93 PDK2 (0.33) TRPV4P2RX7
SCHEMBL3003270 0.90 RXRA (0.41) RXRARXRBRXRGEIF4EBP1TRPV4
SCHEMBL3000292 0.89 PTGDR2 (0.34) TRPV4P2RX7ALDH1A1
SCHEMBL2994983 0.87 RXRA (0.38) RXRARXRBRXRGEIF4EBP1TRPV4
SCHEMBL2992764 0.85 RORC (0.36) EIF4EBP1ALDH1A1
SCHEMBL2997727 0.85 ALDH1A1 (0.39) RXRARXRBRXRGKMT2AALDH1A1
SCHEMBL2995786 0.83 RXRA (0.34) RXRARXRBRXRGTRPV4
SCHEMBL3003481 0.82 RORC (0.34) RXRARXRBRXRGTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RXRA 296/4885RXRB 271/4885RXRG 370/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RXRA 296/4885RXRB 271/4885RXRG 370/4885

“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.