Sugi Predict

Sugi Predict / Compounds / SCHEMBL2999031

SCHEMBL2999031

SCHEMBL2999031

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 1/20 0.33
▸ TRPA1 O75762 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FABP3 P05413 2/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ EIF4EBP1 Q13541 2/20 0.32
▸ TRPV4 Q9HBA0 2/20 0.32
▸ FFAR2 O15552 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ CD274 Q9NZQ7 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
SCHEMBL2996109 0.96 SSTR2 (0.33) SSTR2TRPA1USP2ALDH1A1GAA
SCHEMBL2989358 0.92 FABP3 (0.33) SSTR2TRPA1HPGDNPSR1FABP3
SCHEMBL2997727 0.86 ALDH1A1 (0.39) ALDH1A1GAAHPGDNPSR1RXRA
SCHEMBL3003110 0.86 RORC (0.36) TRPA1USP2ALDH1A1FABP3FABP4
SCHEMBL2998496 0.85 FABP3 (0.34) HPGDNPSR1FABP3FABP4RXRA
SCHEMBL3001181 0.85 PDK2 (0.33) FABP3FABP4TRPV4SCN9APDK2
SCHEMBL2995780 0.85 FABP3 (0.33) HPGDNPSR1FABP3FABP4RXRA
SCHEMBL2994983 0.85 RXRA (0.38) HPGDNPSR1FABP3FABP4EIF4EBP1
SCHEMBL2998421 0.84 PDK2 (0.32) FABP3FABP4EIF4EBP1TRPV4PDK2
SCHEMBL3002973 0.82 FABP3 (0.34) SSTR2FABP3FABP4EIF4EBP1RXRA

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 SSTR2 42/4885TRPA1 2090/4885USP2 2149/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR SSTR2 42/4885TRPA1 2090/4885USP2 2149/4885

“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.