SCHEMBL3000292

SCHEMBL3000292

N#Cc1cc(C(F)(F)F)ncc1-c1cc(S(=O)(=O)N2CCC(F)(F)c3ccccc32)c(OCC(=O)O)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.34
PTGDR Q13258 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
P2RX7 Q99572 1/20 0.32
ACLY P53396 1/20 0.31
SCN9A Q15858 3/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2996817 0.93 RXRA (0.33) TRPV4P2RX7SCN9AUSP2ALDH1A1
SCHEMBL3001181 0.93 PDK2 (0.33) TRPV4P2RX7SCN9A
SCHEMBL2995786 0.92 RXRA (0.34) PTGDR2PTGDRTRPV4GAA
SCHEMBL2999309 0.89 RXRA (0.32) TRPV4P2RX7ALDH1A1
SCHEMBL2998421 0.89 PDK2 (0.32) TRPV4P2RX7
SCHEMBL3003270 0.86 RXRA (0.41) TRPV4SCN9A
SCHEMBL3000055 0.85 ALDH1A1 (0.40) USP2ALDH1A1GAA
SCHEMBL3001831 0.85 RORC (0.37) PTGDR2PTGDRSCN9A
SCHEMBL2994983 0.85 RXRA (0.38) TRPV4HPGDNPSR1
SCHEMBL3003481 0.83 RORC (0.34) TRPV4SCN9A

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 PTGDR2 282/4885PTGDR 172/4885TRPV4 812/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR PTGDR2 282/4885PTGDR 172/4885TRPV4 812/4885

“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.