SCHEMBL11965648

SCHEMBL11965648

COC(=O)c1ccc(C2CC2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ CREBBP Q92793 1/20 0.44
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ HPGD P15428 5/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ DGAT1 O75907 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL11965647 0.88 CREBBP (0.57) CREBBPMEN1MAPTKMT2ADGAT1
SCHEMBL16318447 0.82 KDM4E (0.52) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10318265 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL2934675 0.80 CA12 (0.54) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL30816858 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL31104508 0.79 MAPT (0.50) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL4490699 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL31480211 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL11959263 0.79 MAPT (0.50) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL29281561 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDGLAGAA

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-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 — — US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 — — 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-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 — — US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 — — US disclosed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 — — EP disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 — — US disclosed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 — — EP disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 — — US disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 — — US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 — — US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 — — US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 — — US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 — — US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 — — EP disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 — — EP disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 — — 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 (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-20070111999-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 ALDH1A1 3548/4885KDM4E 4412/4885CREBBP 225/4885
US-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 ALDH1A1 3347/4885KDM4E 4270/4885CREBBP 272/4885
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885KDM4E 4177/4885CREBBP 207/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885KDM4E 4177/4885CREBBP 207/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2142/4885KDM4E 4095/4885CREBBP 210/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 ALDH1A1 3548/4885KDM4E 4412/4885CREBBP 225/4885

“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.

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