SCHEMBL5222089

SCHEMBL5222089

O=C(O)c1cc(F)cc(CC=S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.48
PPARA Q07869 4/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTGER1 P34995 1/20 0.36
NR4A2 P43354 4/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
FOLH1 Q04609 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL5226059 0.84 CES2 (0.36) HCAR1MRGPRX4CES2CES1
SCHEMBL1401514 0.77 HCAR1 (0.55) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL5223416 0.76 HCAR1 (0.53) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL20339980 0.76 HCAR1 (0.53) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL15888156 0.76 HCAR1 (0.53) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL20988826 0.76 HCAR1 (0.53) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL27658127 0.74 HCAR1 (0.52) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL157714 0.73 HCAR1 (0.73) HCAR1PPARAHCAR2CES2CES1
SCHEMBL336433 0.73 HCAR1 (0.73) HCAR1PPARAHCAR2CES2CES1
SCHEMBL5222093 0.73 HCAR1 (0.50) HCAR1PPARAMRGPRX4HCAR2CES2

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 10 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
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 HCAR1 65/4885PPARA 761/4885MRGPRX4 297/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 HCAR1 65/4885PPARA 761/4885MRGPRX4 297/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 HCAR1 65/4885PPARA 761/4885MRGPRX4 297/4885

“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.