Sugi Predict

Sugi Predict / Compounds / SCHEMBL2564255

SCHEMBL2564255

SCHEMBL2564255

COC(=O)c1cc(O)cc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.66
▸ CA1 P00915 5/20 0.66
▸ CA2 P00918 5/20 0.66
▸ CA7 P43166 5/20 0.66
▸ CA9 Q16790 5/20 0.66
▸ CA14 Q9ULX7 5/20 0.66
▸ KDM4E B2RXH2 2/20 0.48
▸ XDH P47989 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ FUT7 Q11130 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EGLN2 Q96KS0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4747234 0.89 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2228514 0.89 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1708877 0.82 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL30570179 0.82 CNR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4788616 0.82 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL2160603 0.82 CNR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL31455773 0.82 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL16961937 0.81 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5227094 0.81 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL3488915 0.81 ALDH1A1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814039-B Fluorophenyl pyrazole compounds 伊莱利利公司 2018-07-17 — — CN disclosed
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 — — EP disclosed
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 — — EP disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 — — US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 — — US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 — — US disclosed
EP-3083605-A1 FLUOROPHENYL PYRAZOL COMPOUNDS Eli Lilly & Company (US) 2016-10-26 — — EP disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 — — US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 — — US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 — — 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
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 — — US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 — — US 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-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS SLCO1B3, CYP3A43, CYP4F3 CA12 1902/4885CA1 2127/4885CA2 580/4885
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CA12 3922/4885CA1 972/4885CA2 1356/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CA12 3922/4885CA1 972/4885CA2 1356/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CA12 3922/4885CA1 972/4885CA2 1356/4885

“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.