Sugi Predict

Sugi Predict / Compounds / SCHEMBL3003236

SCHEMBL3003236

SCHEMBL3003236

CN(c1ccccc1)S(=O)(=O)c1cc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.39
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ AR P10275 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL3002774 0.92 PTGDR2 (0.42) LMNAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL2992438 0.86 KMT2A (0.39) LMNAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL2998412 0.83 NR1H3 (0.41) LMNAMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL3000213 0.79 RXRA (0.33) ACLYLMNAKMT2APTGDR2HPGD
SCHEMBL3000160 0.78 AR (0.36) NR1H3AR
SCHEMBL2995709 0.77 SCN9A (0.33) NR1H3AR
SCHEMBL2992783 0.77 SCN9A (0.33) NR1H3AR
SCHEMBL27333782 0.76 EGFR (0.36) KMT2AARHPGDPOLB
SCHEMBL30993800 0.76 EGFR (0.36) KMT2AARHPGDPOLB
SCHEMBL30993814 0.74 KMT2A (0.34) LMNAMAPTKMT2AL3MBTL1ALDH1A1

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 ACLY 1772/4885LMNA 2763/4885MAPT 4147/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ACLY 1772/4885LMNA 2763/4885MAPT 4147/4885

“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.