SCHEMBL498335

SCHEMBL498335

CCOC(=O)C(C#N)(CC(=O)OC1CC2CCC1(C)C2(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL4338395 0.92 CYP19A1 (0.46) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL10028359 0.85 CYP19A1 (0.44) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL498348 0.85 CYP19A1 (0.44) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL2297940 0.79 MEN1 (0.46) ALDH1A1KMT2A
SCHEMBL14472137 0.79 CYP19A1 (0.46) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL498342 0.79 CYP19A1 (0.45) CYP19A1KMT2A
SCHEMBL2300846 0.76 MEN1 (0.47) ALDH1A1KMT2A
SCHEMBL498400 0.76 CYP19A1 (0.43) CYP19A1ALDH1A1LMNAMAPTMAPK1
SCHEMBL1720413 0.75 CYP19A1 (0.57) CYP19A1ALDH1A1LMNACYP2C19MAPT
SCHEMBL8727726 0.74 MEN1 (0.49) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 533/4885ALDH1A1 486/4885LMNA 2588/4885
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 533/4885ALDH1A1 486/4885LMNA 2588/4885

“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.