SCHEMBL3003270

SCHEMBL3003270

CC1(C)CCN(S(=O)(=O)c2cc(-c3cnc(C(F)(F)F)cc3C#N)c(Cl)cc2OCCC(=O)O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RORC P51449 2/20 0.33
NR1I2 O75469 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
S1PR1 P21453 1/20 0.31
PDK2 Q15119 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
SCN9A Q15858 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
SCHEMBL2994983 0.97 RXRA (0.38) RXRARXRBRXRGRORCNR1I2
SCHEMBL2995786 0.93 RXRA (0.34) RXRARXRBRXRGRORCNR1I2
SCHEMBL2996817 0.93 RXRA (0.33) RXRARXRBRXRGPDK2EIF4EBP1
SCHEMBL3003481 0.93 RORC (0.34) RXRARXRBRXRGRORCNR1I2
SCHEMBL2992283 0.91 NR1I2 (0.33) RXRARXRBRXRGRORCNR1I2
SCHEMBL3000431 0.90 PDK2 (0.34) RXRARXRBRXRGRORCNR1I2
SCHEMBL2999309 0.90 RXRA (0.32) RXRARXRBRXRGEIF4EBP1TRPV4
SCHEMBL2994807 0.90 RXRA (0.39) RXRARXRBRXRGRORCNR1I2
SCHEMBL3001181 0.89 PDK2 (0.33) PDK2TRPV4SCN9A
SCHEMBL2998462 0.89 TSHR (0.36) RORCNR1I2NR1H2NR1H3SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US claimed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US claimed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.