SCHEMBL1271815

SCHEMBL1271815

CS(=O)(=O)c1cc(F)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 6/20 0.42
PTGS2 P35354 3/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TYK2 P29597 1/20 0.38
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR2 P41597 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL4064154 0.88 EPAS1 (0.46) EPAS1PTGS2PTGS1MEN1KMT2A
SCHEMBL29212553 0.85 EPAS1 (0.44) EPAS1PTGS2PTGS1MEN1KMT2A
SCHEMBL12777966 0.81 TRPV4 (0.42) EPAS1ALDH1A1HTTMEN1KMT2A
SCHEMBL10164103 0.79 RAD51 (0.45) EPAS1PTGS2ALDH1A1HTTKCNJ1
SCHEMBL12327903 0.79 SGK1 (0.41) EPAS1ALDH1A1HTTKCNJ1KCNH2
SCHEMBL17505017 0.78 MAOB (0.40) ALDH1A1HTTKMT2AKCNJ1KCNH2
SCHEMBL21013691 0.78 ALDH1A1 (0.40) EPAS1ALDH1A1HTTKCNJ1KCNH2
SCHEMBL22046331 0.78 L3MBTL1 (0.52) ALDH1A1HTTMEN1KMT2AKCNJ1
SCHEMBL12560129 0.78 VCAM1 (0.46) EPAS1ALDH1A1HTTMEN1KMT2A
SCHEMBL28137594 0.77 NR1H2 (0.47) SLC22A12

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
EP-2367801-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS Wyeth LLC (US) 2011-09-28 EP disclosed
US-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds WYETH LLC 2011-05-12 US disclosed
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
CN-101952257-A Benzimidazole compounds WYETH CORP 2011-01-19 CN disclosed
CN-101945871-A Imidazo [1,2-a] pyridine compounds WYETH LLC 2011-01-12 CN disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
EP-2231660-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 WO disclosed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 US disclosed
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 EP disclosed
CN-1469878-A Aza-and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors 2004-01-21 CN disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030931-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (6 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-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds NR1H2, NR1H3, NR1H4 EPAS1 1506/4885PTGS2 3206/4885ALDH1A1 740/4885
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS EPAS1 2849/4885PTGS2 3238/4885ALDH1A1 633/4885
US-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 EPAS1 2629/4885PTGS2 2096/4885ALDH1A1 3991/4885
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 EPAS1 2174/4885PTGS2 3519/4885ALDH1A1 1744/4885
US-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 EPAS1 2948/4885PTGS2 3642/4885ALDH1A1 683/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA EPAS1 2134/4885PTGS2 3132/4885ALDH1A1 2855/4885

“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.