SCHEMBL5226978

SCHEMBL5226978

COC(=O)c1cc(OC)cc(C(=O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 6/20 0.44
AKR1C2 P52895 6/20 0.44
CDC25B P30305 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 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
SCHEMBL24001626 0.92 POLB (0.56) POLBGAAKDM4ECYP1A2CYP2D6
SCHEMBL28493002 0.90 SMN1; SMN2 (0.52) POLBKDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL27138531 0.85 KDM4E (0.46) POLBGAAKDM4EAKR1C3AKR1C2
SCHEMBL3911893 0.83 CYP3A4 (0.56) POLBGAAKDM4ECYP1A2CYP2D6
SCHEMBL841684 0.83 CA12 (0.52) POLBGAAKDM4ECYP3A4HPGD
SCHEMBL21621562 0.83 KDM4E (0.53) POLBGAAKDM4ECYP1A2CYP2D6
SCHEMBL11615862 0.83 SMN1; SMN2 (0.46) POLBKDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL15009548 0.83 TPMT (0.43) POLBGAAKDM4EHPGDALDH1A1
SCHEMBL1791406 0.83 ALDH1A1 (0.56) POLBGAAKDM4ECYP1A2CYP2D6
SCHEMBL6945356 0.81 GAA (0.50) POLBGAAKDM4ECYP1A2CYP2D6

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 14 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-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 WO 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 (4 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 POLB 3928/4885GAA 1194/4885KDM4E 3972/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 POLB 2490/4885GAA 1642/4885KDM4E 2826/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 POLB 3928/4885GAA 1194/4885KDM4E 3972/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 POLB 3928/4885GAA 1194/4885KDM4E 3972/4885

“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.