SCHEMBL3004722

SCHEMBL3004722

CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ NR3C2 P08235 1/20 0.56
▸ LMNA P02545 4/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ PDK1 Q15118 2/20 0.44
▸ PDK2 Q15119 2/20 0.44
▸ PDK3 Q15120 2/20 0.44
▸ PDK4 Q16654 2/20 0.44

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
SCHEMBL5469042 0.86 ESR1 (0.63) ESR1L3MBTL1NPSR1NR3C2LMNA
SCHEMBL2994876 0.84 ESR1 (0.64) ESR1L3MBTL1NPSR1NR3C2LMNA
SCHEMBL3000167 0.83 ESR1 (0.60) ESR1L3MBTL1NPSR1NR3C2LMNA
SCHEMBL25442266 0.78 ESR1 (0.73) ESR1L3MBTL1NPSR1NR3C2LMNA
SCHEMBL5469120 0.77 ESR1 (0.64) ESR1L3MBTL1NR3C2LMNAMEN1
SCHEMBL5469051 0.76 ESR1 (0.62) ESR1NR3C2LMNAMEN1POLB
SCHEMBL23884725 0.76 ESR1 (0.73) ESR1L3MBTL1NPSR1NR3C2LMNA
SCHEMBL25443027 0.76 ESR1 (0.73) ESR1NPSR1NR3C2LMNAMEN1
SCHEMBL5461056 0.75 ESR1 (0.53) ESR1L3MBTL1NR3C2LMNAMEN1
SCHEMBL3000370 0.75 KMT2A (0.69) L3MBTL1LMNAMEN1TSHRMAPK1

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 ESR1 86/4885L3MBTL1 2471/4885NPSR1 31/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ESR1 86/4885L3MBTL1 2471/4885NPSR1 31/4885

“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.

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