SCHEMBL2999310

SCHEMBL2999310

CC1(C)CCN(S(=O)(=O)c2cc(-c3cnc(C#N)cc3C#N)c(Cl)cc2OCCCC(=O)O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
FABP3 P05413 4/20 0.34
FABP4 P15090 1/20 0.34
CHEK1 O14757 3/20 0.32
SNCA P37840 1/20 0.32
EIF4EBP1 Q13541 1/20 0.31
AR P10275 2/20 0.31
PKLR P30613 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
PDK2 Q15119 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 0.91 RXRA (0.38) RXRARXRBRXRGFABP3FABP4
SCHEMBL3003270 0.88 RXRA (0.41) RXRARXRBRXRGEIF4EBP1PDK2
SCHEMBL3002973 0.85 FABP3 (0.34) RXRARXRBRXRGFABP3FABP4
SCHEMBL2994807 0.84 RXRA (0.39) RXRARXRBRXRGFABP3FABP4
SCHEMBL3001181 0.84 PDK2 (0.33) FABP3FABP4SNCAPDK2
SCHEMBL3000431 0.84 PDK2 (0.34) RXRARXRBRXRGKMT2AALDH1A1
SCHEMBL2995786 0.83 RXRA (0.34) RXRARXRBRXRG
SCHEMBL2992283 0.83 NR1I2 (0.33) RXRARXRBRXRG
SCHEMBL3000963 0.83 PKLR (0.32) RXRARXRBRXRGPKLR
SCHEMBL2999737 0.82 RXRA (0.32) RXRARXRBRXRGPKLR

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 RXRA 296/4885RXRB 271/4885RXRG 370/4885
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.