SCHEMBL3224832

SCHEMBL3224832

CC(C)(C)OC(=O)NCCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
BACE1 P56817 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HCRTR2 O43614 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
MAN2B1 O00754 1/20 0.35

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
SCHEMBL14932472 0.82 TDP1 (0.42) TDP1GAAKDM4EALDH1A1GLA
SCHEMBL794166 0.81 BACE1 (0.42) KDM4EALDH1A1GLAMAPTBACE1
SCHEMBL10286265 0.80 TDP1 (0.40) TDP1GAAKDM4EALDH1A1GLA
SCHEMBL22975175 0.80 TDP1 (0.47) TDP1GAAKDM4EMEN1KMT2A
SCHEMBL20303890 0.80 BACE1 (0.35) GAABACE1HCRTR2
SCHEMBL9327452 0.78 TDP1 (0.49) TDP1GAAKDM4EMAPTMEN1
SCHEMBL8443417 0.78 CA1 (0.38) KMT2ABACE1
SCHEMBL19126937 0.78 EPHX2 (0.39) KDM4EALDH1A1GLAMAPTBACE1
SCHEMBL8446546 0.77 BACE1 (0.36) TDP1GAAMEN1KMT2ABACE1
SCHEMBL26924955 0.77 BACE1 (0.36) TDP1GAAMEN1KMT2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
CN-108135168-B CCR2 modulators 凯莫森特里克斯股份有限公司 2021-07-20 CN disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 WO disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
US-20130296317-A1 LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2013-11-07 US disclosed
US-20130296317-A1 LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2013-11-07 US disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
WO-2012058193-A1 LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US disclosed
EP-2120933-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008104475-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-09-04 WO disclosed
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 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 (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-20130296317-A1 LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, PARK7, AKT1 TDP1 1819/4885GAA 239/4885KDM4E 3972/4885
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 TDP1 4090/4885GAA 4766/4885KDM4E 4548/4885
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO TDP1 4540/4885GAA 4312/4885KDM4E 2794/4885
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS CDK2, CDK1, CDK3 TDP1 567/4885GAA 3492/4885KDM4E 513/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 TDP1 3282/4885GAA 4729/4885KDM4E 4739/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 TDP1 4610/4885GAA 4424/4885KDM4E 4745/4885
US-20070142414-A1 N-substituted pyrrolopyridinones active as kinase inhibitors CDK2, MAP3K19, MAP3K7 TDP1 840/4885GAA 3382/4885KDM4E 675/4885

“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.