SCHEMBL2989358

SCHEMBL2989358

COC1CCN(S(=O)(=O)c2cc(-c3cnc(C(F)(F)F)cc3C#N)c(Cl)cc2OCCCC(=O)O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 4/20 0.33
FABP4 P15090 2/20 0.33
EIF4EBP1 Q13541 5/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SSTR2 P30874 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
FFAR2 O15552 1/20 0.31
TRPA1 O75762 1/20 0.31
SNCA P37840 1/20 0.31
PPARD Q03181 1/20 0.31
SCN9A Q15858 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CTSS P25774 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
SCHEMBL2998496 0.94 FABP3 (0.34) FABP3FABP4LMNAHPGDKMT2A
SCHEMBL2995780 0.93 FABP3 (0.33) FABP3FABP4LMNAHPGDKMT2A
SCHEMBL2999031 0.92 SSTR2 (0.33) FABP3FABP4EIF4EBP1HPGDNPSR1
SCHEMBL3002973 0.91 FABP3 (0.34) FABP3FABP4EIF4EBP1KMT2ARXRA
SCHEMBL2996109 0.90 SSTR2 (0.33) FABP3FABP4EIF4EBP1HPGDKMT2A
SCHEMBL2989493 0.90 FFAR2 (0.32) RXRARXRBRXRGTRPV4FFAR2
SCHEMBL2997727 0.85 ALDH1A1 (0.39) LMNAHPGDKMT2ANPSR1RXRA
SCHEMBL2994983 0.85 RXRA (0.38) FABP3FABP4EIF4EBP1LMNAHPGD
SCHEMBL3003110 0.85 RORC (0.36) FABP3FABP4TRPV4TRPA1SNCA
SCHEMBL3001181 0.84 PDK2 (0.33) FABP3FABP4TRPV4SNCAPPARD

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 FABP3 3023/4885FABP4 3285/4885EIF4EBP1 4131/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR FABP3 3023/4885FABP4 3285/4885EIF4EBP1 4131/4885

“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.