SCHEMBL5222093

SCHEMBL5222093

O=C(O)c1cc(F)cc(CCS)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.50
FOLH1 Q04609 5/20 0.42
PPARA Q07869 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTGER1 P34995 1/20 0.37
NR4A2 P43354 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35

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
SCHEMBL28330720 0.86 FOLH1 (0.48) FOLH1ANPEPENPEP
SCHEMBL5051193 0.86 FOLH1 (0.48) FOLH1ANPEPENPEP
SCHEMBL5223416 0.85 HCAR1 (0.53) HCAR1FOLH1PPARAMRGPRX4HCAR2
SCHEMBL5226065 0.84 CES2 (0.38) HCAR1FOLH1MRGPRX4CES2CES1
SCHEMBL27658127 0.83 HCAR1 (0.52) HCAR1FOLH1PPARAMRGPRX4HCAR2
SCHEMBL1401514 0.79 HCAR1 (0.55) HCAR1FOLH1PPARAMRGPRX4HCAR2
SCHEMBL6926914 0.77 IDO1 (0.42)
SCHEMBL20988826 0.77 HCAR1 (0.53) HCAR1PPARAMRGPRX4HCAR2CES2
SCHEMBL15888156 0.77 HCAR1 (0.53) HCAR1FOLH1PPARAMRGPRX4HCAR2
SCHEMBL20339980 0.77 HCAR1 (0.53) HCAR1FOLH1PPARAMRGPRX4HCAR2

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 65/4885FOLH1 388/4885PPARA 761/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 HCAR1 65/4885FOLH1 388/4885PPARA 761/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 HCAR1 65/4885FOLH1 388/4885PPARA 761/4885

“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.