SCHEMBL145883

SCHEMBL145883

COc1ccc(-n2cc(C(F)(F)F)ccc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
NOX4 Q9NPH5 2/20 0.46
NPBWR1 P48145 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MGLL Q99685 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOB P27338 1/20 0.40
PTPN11 Q06124 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL16479477 0.85 TP53 (0.50) ALDH1A1TP53PTGS2MGLLL3MBTL1
SCHEMBL12333052 0.84 GSK3A (0.42) ALDH1A1L3MBTL1
SCHEMBL16479476 0.84 TRPV1 (0.43) ALDH1A1TP53PTGS2POLBL3MBTL1
SCHEMBL10305669 0.81 ALDH1A1 (0.53) ALDH1A1NPBWR1PTGS1PTGS2MGLL
SCHEMBL13075264 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL18077692 0.81 MAPK14 (0.43) ALDH1A1TP53L3MBTL1MAOB
SCHEMBL142716 0.80 NPC1 (0.46) ALDH1A1NOX4PTGS1PTGS2MGLL
SCHEMBL6116854 0.78 KIF11 (0.47) ALDH1A1PTGS1L3MBTL1MAOB
SCHEMBL142926 0.78 KIF11 (0.47) ALDH1A1PTGS1PTGS2MGLLPOLB
SCHEMBL10079418 0.78 KDM4E (0.37) ALDH1A1POLBL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
EP-2591784-B1 Pyridine-2-one-derivatives as modulators of stress-activated protein kinase system INTERMUNE INC (US) 2016-09-14 EP disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds INTERMUNE, INC. 2010-02-04 US disclosed
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds INTERMUNE, INC. 2010-02-04 US disclosed
CN-101237869-A Pyridone derivatives for modulating stress-activated protein kinase system INTERMUNE INC (US) 2008-08-06 CN disclosed
EP-1928454-A2 PYRIDONE DERIVATIVES FOR MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM Intermune, Inc. (US) 2008-06-11 EP disclosed
WO-2007062167-A9 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE INC (US) 2007-07-26 WO disclosed
WO-2007062167-A2 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2007-05-31 WO disclosed
WO-2007053685-A2 METHODS OF TREATING ATRIAL FIBRILLATION WITH P38 INHIBITOR COMPOUNDS INTERMUNE, INC. (US) 2007-05-10 WO disclosed
US-20060270612-A1 Method of modulating stress-activated protein kinase system INTERMUNE, INC. 2006-11-30 US disclosed
WO-2006122154-A2 PYRIDONE DERIVATIVES FOR MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2006-11-16 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 (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-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds ATF1, MAPKAPK3, MAPKAPK2 ALDH1A1 900/4885TP53 3806/4885NOX4 122/4885
US-10010536-B2 Method of modulating stress-activated protein kinase system MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885TP53 945/4885NOX4 1322/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885TP53 945/4885NOX4 1322/4885
US-20060270612-A1 Method of modulating stress-activated protein kinase system MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885TP53 945/4885NOX4 1322/4885

“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.