SCHEMBL5222767

SCHEMBL5222767

N#Cc1cc(CS)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.50
FOLH1 Q04609 4/20 0.49
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.37
PLA2G2A P14555 1/20 0.37
MEP1B Q16820 1/20 0.36
GPR35 Q9HC97 1/20 0.36
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL5227093 0.84 MRGPRX4 (0.40) MRGPRX4FOLH1GSK3BGPR35RXRA
SCHEMBL2225880 0.82 MRGPRX4 (0.50) MRGPRX4MEN1KMT2AGSK3BPLA2G2A
SCHEMBL4344295 0.80 FOLH1 (0.63) FOLH1
SCHEMBL2511327 0.80 MRGPRX4 (0.45) MRGPRX4GSK3BPLA2G2AGPR35XDH
SCHEMBL11891900 0.80 FOLH1 (0.63) FOLH1RXRA
SCHEMBL2170685 0.80 MRGPRX4 (0.49) MRGPRX4GSK3BPLA2G2AGPR35XDH
SCHEMBL4651669 0.78 MRGPRX4 (0.56) MRGPRX4MEN1KMT2APLA2G2AGPR35
SCHEMBL22481113 0.77 TTR (0.37) MRGPRX4
SCHEMBL31646803 0.76 MRGPRX4 (0.40) MRGPRX4GSK3BPLA2G2AGPR35XDH
SCHEMBL2562951 0.73 CA12 (0.60) MRGPRX4MEN1KMT2AGPR35XDH

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 MRGPRX4 297/4885FOLH1 388/4885MEN1 3960/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885FOLH1 388/4885MEN1 3960/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885FOLH1 388/4885MEN1 3960/4885

“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.