SCHEMBL2992764

SCHEMBL2992764

N#Cc1cc(C(F)(F)F)ncc1-c1cc(S(=O)(=O)N2CCSc3ccccc32)c(OCCC(=O)O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.36
CPT1A P50416 5/20 0.33
CPT1B Q92523 4/20 0.33
CPT2 P23786 2/20 0.32
NR1I2 O75469 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SCN9A Q15858 3/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EIF4EBP1 Q13541 2/20 0.30
SLC22A12 Q96S37 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 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
SCHEMBL3003110 0.97 RORC (0.36) RORCCPT1ACPT1BCPT2NR1I2
SCHEMBL3001831 0.93 RORC (0.37) RORCCPT1ACPT1BCPT2NR1I2
SCHEMBL2995720 0.90 RORC (0.36) RORCCPT1ACPT1BCPT2NR1I2
SCHEMBL2996817 0.86 RXRA (0.33) SCN9AUSP2ALDH1A1GAAHPGD
SCHEMBL3003270 0.85 RXRA (0.41) RORCNR1I2NR1H2NR1H3SCN9A
SCHEMBL2999309 0.85 RXRA (0.32) ALDH1A1EIF4EBP1
SCHEMBL2997727 0.84 ALDH1A1 (0.39) NR1H3GPBAR1ALDH1A1GAAHPGD
SCHEMBL2999031 0.82 SSTR2 (0.33) SCN9AUSP2ALDH1A1GAAHPGD
SCHEMBL3001181 0.82 PDK2 (0.33) SCN9AFABP3FABP4
SCHEMBL2994983 0.82 RXRA (0.38) RORCNR1I2NR1H2NR1H3HPGD

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 RORC 889/4885CPT1A 2648/4885CPT1B 3345/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR RORC 889/4885CPT1A 2648/4885CPT1B 3345/4885

“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.