SCHEMBL5223976

SCHEMBL5223976

COCCOc1cc(C#N)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.54
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.41

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
SCHEMBL23352170 0.90 PLA2G2A (0.64) PLA2G2AMAPTKMT2AMEN1PKM
SCHEMBL39013 0.88 MAPT (0.60) PLA2G2AALDH1A1MAPTKMT2AMEN1
SCHEMBL27994057 0.87 PLA2G2A (0.59) PLA2G2AMAPTKMT2AMEN1PKM
SCHEMBL38560 0.86 MAPT (0.54) PLA2G2AALDH1A1MAPTMRGPRX4NPC1
SCHEMBL5225023 0.86 MAPT (0.48) PLA2G2AALDH1A1MAPTNPC1RECQL
SCHEMBL5224719 0.86 PLA2G2A (0.64) PLA2G2AALDH1A1MAPTKMT2AMEN1
SCHEMBL12733612 0.85 PLA2G2A (0.58) PLA2G2AALDH1A1MAPTKMT2AMEN1
SCHEMBL90428 0.85 PLA2G2A (0.58) PLA2G2AKMT2AMEN1PKMMRGPRX4
SCHEMBL29788135 0.85 PLA2G2A (0.58) PLA2G2AKMT2AMEN1PKMMRGPRX4
SCHEMBL2564264 0.84 PLA2G2A (0.57) PLA2G2AALDH1A1MAPTKMT2AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (3 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885ALDH1A1 3466/4885MAPT 659/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885ALDH1A1 3466/4885MAPT 659/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PLA2G2A 879/4885ALDH1A1 3466/4885MAPT 659/4885

“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.