SCHEMBL3028012

SCHEMBL3028012

Cc1ccc(CNC(=O)OC(C)(C)C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
KDM4A O75164 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM2 P08172 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 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
SCHEMBL4153485 0.84 KDM4A (0.44) ALDH1A1MAPTKDM4AL3MBTL1KDM4E
SCHEMBL18136745 0.84 KDM4A (0.44) ALDH1A1MAPTKDM4AL3MBTL1KDM4E
SCHEMBL33528965 0.83 ALDH1A1 (0.50) PKMCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL24139945 0.83 KDM4A (0.43) ALDH1A1MAPTKDM4AMEN1KMT2A
SCHEMBL15225483 0.83 KDM4A (0.43) ALDH1A1MAPTKDM4AL3MBTL1KDM4E
SCHEMBL24139860 0.83 KDM4A (0.43) ALDH1A1MAPTKDM4AL3MBTL1KDM4E
SCHEMBL4147145 0.83 KDM4A (0.43) ALDH1A1MAPTKDM4AL3MBTL1KDM4E
SCHEMBL11489339 0.82 KDM4A (0.42) MAPTKDM4AMEN1KMT2AL3MBTL1
SCHEMBL28387978 0.82 KDM4A (0.42) ALDH1A1MAPTKDM4APOLBL3MBTL1
SCHEMBL22620830 0.82 KDM4A (0.42) CYP1A2ALDH1A1MAPTKDM4AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2014-09-11 US disclosed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 US disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 US disclosed
CN-101720326-B Novel carbapenem derivatives KBP BIOSCIENCES CO LTD 2012-07-18 CN disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 US disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP 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-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PKM 516/4885CYP1A2 4618/4885CYP2D6 4626/4885
US-20140256717-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 PKM 186/4885CYP1A2 2462/4885CYP2D6 2275/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PKM 516/4885CYP1A2 4618/4885CYP2D6 4626/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE PKM 488/4885CYP1A2 4557/4885CYP2D6 4595/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PKM 516/4885CYP1A2 4618/4885CYP2D6 4626/4885
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES SI, MGAM, IDE PKM 114/4885CYP1A2 618/4885CYP2D6 288/4885

“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.