SCHEMBL103835

SCHEMBL103835

CC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 1/20 0.44
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
GAA P10253 1/20 0.43
TNKS O95271 1/20 0.42
ADAM17 P78536 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A3 P47895 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
POLB P06746 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
SCHEMBL542887 0.85 MEN1 (0.54) LMNAKMT2AMEN1KDM4EMMP2
SCHEMBL1093175 0.83 MEN1 (0.49) LMNAKMT2AMEN1MMP2MMP13
SCHEMBL103911 0.82 LMNA (0.51) LMNAKMT2AMEN1KDM4EMMP2
SCHEMBL539101 0.81 LMNA (0.74) LMNAKMT2AMEN1MMP2MMP13
SCHEMBL542596 0.80 MEN1 (0.63) LMNAKMT2AMEN1KDM4EMMP2
SCHEMBL543066 0.80 MEN1 (0.46) LMNAKMT2AMEN1GAATNKS
SCHEMBL30412804 0.79 KMT2A (0.45) LMNAKMT2AMEN1KDM4EGAA
SCHEMBL102476 0.79 KMT2A (0.45) LMNAKMT2AMEN1KDM4EGAA
SCHEMBL542522 0.78 MEN1 (0.49) LMNAKMT2AMEN1MMP2MMP9
SCHEMBL541337 0.77 MEN1 (0.68) LMNAKMT2AMEN1MMP2MMP13

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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
CN-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed
WO-2015037243-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE HYDANTOIN COMPOUND 興和株式会社 (JP) 2015-03-19 WO disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 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 (5 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 LMNA 1575/4885KMT2A 2327/4885MEN1 3479/4885
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 LMNA 1674/4885KMT2A 1414/4885MEN1 3926/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 LMNA 3596/4885KMT2A 729/4885MEN1 3539/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR LMNA 1288/4885KMT2A 2383/4885MEN1 3823/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR LMNA 1606/4885KMT2A 1572/4885MEN1 3490/4885

“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.