SCHEMBL2997022

SCHEMBL2997022

COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
POLB P06746 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
MCOLN3 Q8TDD5 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.47
KLK7 P49862 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL10300184 0.85 KMT2A (0.59) KMT2AALPLALPIALPGPOLB
SCHEMBL3002789 0.81 VCAM1 (0.60) KMT2AALPLALPIALPGPOLB
SCHEMBL17174231 0.81 KDM4E (0.62) KMT2AALPLALPIALPGPOLB
SCHEMBL30993876 0.79 ACLY (0.45) KMT2AALPLALPIALPGPOLB
SCHEMBL2997647 0.79 ACLY (0.45) KMT2AALPLALPIALPGPOLB
SCHEMBL10186895 0.77 HPGD (0.61) KMT2APOLBLMNAMCOLN3HPGD
SCHEMBL2999024 0.77 KMT2A (0.52) KMT2AALPLALPIALPGPOLB
SCHEMBL13577043 0.74 HPGD (0.50) KMT2AALPLALPIALPGPOLB
SCHEMBL18578297 0.74 MAPT (0.60) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL19018986 0.73 HPGD (0.59) HPGDALDH1A1

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 KMT2A 1562/4885ALPL 3548/4885ALPI 2377/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885ALPL 3548/4885ALPI 2377/4885

“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.