SCHEMBL2998421

SCHEMBL2998421

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
TRPV4 Q9HBA0 2/20 0.31
MGLL Q99685 2/20 0.31
PPARD Q03181 1/20 0.31
EIF4EBP1 Q13541 2/20 0.30
FGFR4 P22455 1/20 0.30
P2RX7 Q99572 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
SCHEMBL2999309 0.97 RXRA (0.32) TRPV4EIF4EBP1P2RX7
SCHEMBL3001181 0.96 PDK2 (0.33) PDK2FABP3FABP4TRPV4PPARD
SCHEMBL2996817 0.93 RXRA (0.33) PDK2TRPV4EIF4EBP1P2RX7
SCHEMBL2994983 0.90 RXRA (0.38) PDK2FABP3FABP4TRPV4PPARD
SCHEMBL3000292 0.89 PTGDR2 (0.34) TRPV4P2RX7
SCHEMBL2997727 0.88 ALDH1A1 (0.39)
SCHEMBL3003270 0.87 RXRA (0.41) PDK2TRPV4EIF4EBP1
SCHEMBL2996109 0.86 SSTR2 (0.33) FABP3FABP4TRPV4EIF4EBP1
SCHEMBL3003110 0.85 RORC (0.36) FABP3FABP4TRPV4
SCHEMBL2999031 0.84 SSTR2 (0.33) PDK2FABP3FABP4TRPV4PPARD

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 PDK2 4706/4885FABP3 3023/4885FABP4 3285/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR PDK2 4706/4885FABP3 3023/4885FABP4 3285/4885

“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.