SCHEMBL2997971

SCHEMBL2997971

Cc1cccc(OCCCBr)c1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.44
NLRP3 Q96P20 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.38
ATR Q13535 1/20 0.38
SCN9A Q15858 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24574915 0.79 LCK (0.60) LCKNLRP3MEN1KMT2AATR
SCHEMBL3004615 0.78 MEN1 (0.33) LCKMEN1KMT2AMAPK1SCN9A
SCHEMBL22941229 0.78 NLRP3 (0.49) LCKNLRP3MAPK1ATRTSHR
SCHEMBL28020487 0.77 NLRP3 (0.47) LCKNLRP3KMT2AMAPK1TSHR
SCHEMBL23177747 0.76 SMN1; SMN2 (0.43) MEN1KMT2ATSHRHSD17B10
SCHEMBL29429219 0.76 SMN1; SMN2 (0.43) MEN1KMT2ATSHRHSD17B10
SCHEMBL23939738 0.75 CA1 (0.49) MEN1KMT2ASCN9A
SCHEMBL2997409 0.74 LCK (0.52) LCKNLRP3MAPK1ATRTSHR
SCHEMBL22941226 0.73 NLRP3 (0.50) LCKNLRP3ATRTSHRHSD17B10
SCHEMBL2352982 0.73 LCK (0.51) LCKNLRP3MAPK1ATRTSHR

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 LCK 4119/4885NLRP3 1503/4885MEN1 592/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR LCK 4119/4885NLRP3 1503/4885MEN1 592/4885

“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.