SCHEMBL2997647

SCHEMBL2997647

COc1ccccc1N(C)S(=O)(=O)c1cc(Br)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.45
KMT2A Q03164 3/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL30993876 1.00 ACLY (0.45) ACLYKMT2AALPLALPIALPG
SCHEMBL10300208 0.86 ACLY (0.45) ACLYKMT2AALPLALPIALPG
SCHEMBL2997022 0.79 KMT2A (0.59) KMT2AALPLALPIALPGHPGD
SCHEMBL2997596 0.79 ACLY (0.40) ACLYKMT2AALPLALPIALPG
SCHEMBL3000075 0.79 ACLY (0.40) ACLYKMT2AALPLALPIALPG
SCHEMBL12317440 0.77 ACLY (0.39) ACLYKMT2AALPLALPIALPG
SCHEMBL3000047 0.75 BRD4 (0.41) ACLYKMT2APOLBMAPTLMNA
SCHEMBL30994034 0.75 TSHR (0.58) ACLYKMT2APOLBMAPTMEN1
SCHEMBL10300196 0.74 KMT2A (0.48) ACLYKMT2AALPLALPIALPG
SCHEMBL13577044 0.74 HPGD (0.45) ACLYKMT2AHPGDPOLBMAPT

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 1772/4885KMT2A 1562/4885ALPL 3548/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR ACLY 1772/4885KMT2A 1562/4885ALPL 3548/4885

“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.