SCHEMBL1401503

SCHEMBL1401503

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
HCAR1 Q9BXC0 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7234951 0.91 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL3327442 0.91 CYP2C19 (0.70) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL22660964 0.89 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL1202702 0.89 CA12 (0.62) CYP2C19CYP2C9CA12CA1CA2
Ammonia Solution, Strong SCHEMBL28298874 0.89 CYP2C19 (0.68) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL15276211 0.86 CA12 (0.55) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL26708988 0.86 KDM4E (0.58) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL264861 0.85 CYP2C19 (0.64) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL24527151 0.84 CA12 (0.56) CYP2C19CYP2C9CA12CA1CA2
SCHEMBL1928502 0.84 CYP2C19 (0.62) CYP2C19CYP2C9CA12CA1CA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1646608-A4 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2006-11-22 EP disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 WO disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (7 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 CYP2C19 32/4885CYP2C9 54/4885CA12 1096/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 CYP2C19 3554/4885CYP2C9 3941/4885CA12 4041/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 CYP2C19 2787/4885CYP2C9 3310/4885CA12 4551/4885
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS CYP2C19 691/4885CYP2C9 614/4885CA12 3902/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 CYP2C19 3554/4885CYP2C9 3941/4885CA12 4041/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 CYP2C19 3554/4885CYP2C9 3941/4885CA12 4041/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 CYP2C19 3554/4885CYP2C9 3941/4885CA12 4041/4885

“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.