SCHEMBL2283371

SCHEMBL2283371

Cc1ccc(C(=O)O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.49
SELL P14151 2/20 0.49
SELP P16109 2/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
CASR P41180 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SELE P16581 1/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL30816854 0.90 MAPT (0.43) PPARGL3MBTL1GAAMAPK1MAPT
SCHEMBL9104625 0.88 CA12 (0.44) MAPK1MAPTALDH1A1NPC1RAB9A
SCHEMBL30587156 0.88 MAPT (0.46) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL628865 0.88 MAPT (0.46) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL3256083 0.88 NPC1 (0.54) MAPK1MAPTALDH1A1KDM4EMEN1
SCHEMBL10318265 0.87 ALDH1A1 (0.50) L3MBTL1GAAMAPTALDH1A1KDM4E
SCHEMBL1417067 0.85 PPARG (0.46) PPARGL3MBTL1GAAMAPK1MAPT
SCHEMBL11982645 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6
SCHEMBL30779358 0.85 MAPT (0.46) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9865843 0.85 KDM5A (0.50) L3MBTL1GAAMAPK1MAPTSELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8563558-B2 Substituted pyridine urea compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-10-22 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
WO-2011021678-A1 FUSED HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-02-24 WO disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-7211666-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7148243-B2 Antivirals MEDIVIR AB (SE) 2006-12-12 US disclosed
EP-1054867-B1 ANTIVIRALS MEDIVIR AB (SE) 2004-04-14 EP disclosed
US-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance MEDIVIR AB (SE) 2003-06-26 US disclosed
US-6486183-B1 Antivirals MEDIVIR AB (SE) 2002-11-26 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 (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-20030119881-A1 N-((2-hydroxy,3-(alkyloxo),6-halophenyl)-(1,2-cyclopropylene) -),N'-((5-cyano or bromo)pyrid-2-yl)urea; retroviricides; HIV reverse transcriptase inhibitors; prolonged time to virus resistance RAD1, POLL, PNPO PPARG 4182/4885L3MBTL1 1487/4885GAA 2711/4885
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 PPARG 437/4885L3MBTL1 2317/4885GAA 2748/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA PPARG 2/4885L3MBTL1 4430/4885GAA 96/4885

“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.