SCHEMBL3258137

SCHEMBL3258137

CCOC(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
ALDH1A1 P00352 5/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
RAB9A P51151 3/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
HSD17B2 P37059 1/20 0.53
KDM4E B2RXH2 3/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HCRTR1 O43613 2/20 0.49

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
SCHEMBL3256021 0.87 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6301547 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL190911 0.84 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL12333389 0.84 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL31530752 0.83 TSHR (0.47) CA12CA1CA2CA7CA9
SCHEMBL27446350 0.83 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL571193 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL31194402 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL30375337 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3030169 0.83 CA12 (0.56) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023048034-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING ETHYNYL GROUP 東レ・ファインケミカル株式会社 2023-03-30 WO disclosed
CN-115232037-A Preparation method of benzoyl sulfonamide-N-substituted benzamide compound 郑州手性药物研究院有限公司 2022-10-25 CN disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 US disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
EP-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP disclosed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 EP disclosed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 US disclosed
WO-2005082866-A2 SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-09-09 WO disclosed
WO-2005082866-A2 SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-09-09 WO disclosed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 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-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 CA12 1726/4885CA1 376/4885CA2 501/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 CA12 1551/4885CA1 328/4885CA2 578/4885
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH CA12 4472/4885CA1 4847/4885CA2 3712/4885

“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.