SCHEMBL498355

SCHEMBL498355

CC1CCC(C(C)C)C(OC(=O)CC(C#N)(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
NPSR1 Q6W5P4 5/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MITF O75030 3/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
CTSS P25774 1/20 0.39
CA1 P00915 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
SCHEMBL498400 0.91 CYP19A1 (0.43) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL4331089 0.91 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498140 0.85 CYP19A1 (0.43) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498330 0.85 CYP19A1 (0.43) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498159 0.81 EPHX1 (0.42) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL4334726 0.81 EPHX1 (0.45) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL4329332 0.81 CYP19A1 (0.47) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498365 0.78 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498142 0.78 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1
SCHEMBL498659 0.78 CYP19A1 (0.46) CYP19A1NPSR1MAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058300-B1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION DAINIPPON SUMITOMO PHARMA CO (JP) 2013-01-09 EP disclosed
US-8106230-B2 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-01-31 US disclosed
US-8030486-B2 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-04 US disclosed
US-20110046373-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION INAGAKI TAKASHI 2011-02-24 US disclosed
US-20100076203-A1 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation DAINIPPON SUMITOMO PHARMA CO., LTD. 2010-03-25 US disclosed
EP-2058300-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-13 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 (2 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-20110046373-A1 SUCCINIC ACID DIESTER DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND USE OF THE DERIVATIVE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATION SUCNR1, DLST, SHMT2 CYP19A1 533/4885NPSR1 2027/4885MAPT 252/4885
US-20100076203-A1 Succinic acid diester derivative, process for production thereof, and use of the derivative in the production of pharmaceutical preparation SUCNR1, DLST, SHMT2 CYP19A1 533/4885NPSR1 2027/4885MAPT 252/4885

“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.