SCHEMBL141013

SCHEMBL141013

COc1ccc(-n2cc(CF)ccc2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NR1H3 Q13133 2/20 0.42
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MGLL Q99685 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
RGS4 P49798 1/20 0.40
RGS8 P57771 1/20 0.40
HSD17B3 P37058 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL16541518 0.85 KDM4E (0.40) ALDH1A1KDM4EMGLLMAPK14
SCHEMBL12311153 0.84 TYR (0.46) CMA1ALDH1A1KDM4ENR1H3GSK3A
SCHEMBL14532059 0.82 ALDH1A1 (0.51) CMA1ALDH1A1KDM4EMGLLMAPK14
SCHEMBL10059426 0.82 MGLL (0.44) ALDH1A1KDM4EMGLLMAPK14POLB
SCHEMBL10079855 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMGLLRGS4RGS8
SCHEMBL16104141 0.79 METAP2 (0.40) CMA1ALDH1A1
SCHEMBL146809 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ETP53RGS4RGS8
SCHEMBL10059427 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EMAPK14
SCHEMBL10059425 0.78 KMT2A (0.39) ALDH1A1KDM4EGSK3AGSK3BKCNH2
SCHEMBL758900 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMGLLMAPK14POLB

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 19 patents. 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-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
EP-2591784-B1 Pyridine-2-one-derivatives as modulators of stress-activated protein kinase system INTERMUNE INC (US) 2016-09-14 EP disclosed
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2014-08-14 US disclosed
US-8741936-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2014-06-03 US disclosed
EP-2591784-A1 Pyridine-2-one-derivatives as modulators of stress-activated protein kinase system Intermune, Inc. (US) 2013-05-15 EP disclosed
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2012-10-11 US disclosed
EP-2426134-A2 Method of modulating stress-activated protein kinase system Intermune, Inc. (US) 2012-03-07 EP disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2010-09-23 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 CMA1 154/4885ALDH1A1 94/4885KDM4E 2408/4885
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 CMA1 3045/4885ALDH1A1 3375/4885KDM4E 3655/4885
US-10010536-B2 Method of modulating stress-activated protein kinase system MAPKAPK2, MAP3K6, MAP4K1 CMA1 3045/4885ALDH1A1 3375/4885KDM4E 3655/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 CMA1 3045/4885ALDH1A1 3375/4885KDM4E 3655/4885
US-20140228310-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 CMA1 3045/4885ALDH1A1 3375/4885KDM4E 3655/4885
US-20120258924-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 CMA1 3045/4885ALDH1A1 3375/4885KDM4E 3655/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 CMA1 456/4885ALDH1A1 358/4885KDM4E 1668/4885

“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.