SCHEMBL180516

SCHEMBL180516

CC(C)(NC(=O)c1ccc(-c2ccc(Cl)nn2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ERAP1 Q9NZ08 3/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
DGAT1 O75907 1/20 0.36
JAK2 O60674 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34

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
SCHEMBL180780 0.78 DGAT1 (0.66) POLBERAP1DGAT1SHMT1SHMT2
SCHEMBL187006 0.76 NAPRT (0.48) POLBKDM4E
SCHEMBL3755534 0.76 POLB (0.56) POLBKDM4EERAP1SHMT1SHMT2
SCHEMBL181195 0.73 NAPRT (0.40) POLBKDM4EKCNQ3KCNQ2DGAT1
SCHEMBL1761515 0.72 KDM4E (0.45) POLBKDM4EJAK2TDP1
SCHEMBL24534686 0.71 HDAC1 (0.60) POLB
SCHEMBL11621411 0.71 KIF11 (0.44) KDM4EHSD11B1
SCHEMBL12302098 0.71 ALDH1A1 (0.55) POLB
SCHEMBL343830 0.70 POLB (0.65) POLBKDM4EMRGPRX4
SCHEMBL3096264 0.70 NPC1 (0.54) ERAP1SHMT1SHMT2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 POLB 962/4885KDM4E 4045/4885ERAP1 1104/4885
US-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 POLB 962/4885KDM4E 4045/4885ERAP1 1104/4885
US-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 POLB 941/4885KDM4E 4015/4885ERAP1 1116/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 POLB 941/4885KDM4E 4015/4885ERAP1 1116/4885

“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.