SCHEMBL498347

SCHEMBL498347

CCOC(=O)C(CC(=O)OC1CC2CC(C1C)C2(C)C)(NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.45
CYP17A1 P05093 8/20 0.45
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
ACP1 P24666 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL10028360 1.00 CYP19A1 (0.45) CYP19A1CYP17A1PTPN2PTPN1PTPRB
SCHEMBL498334 0.86 PTPN2 (0.41) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL498342 0.85 CYP19A1 (0.45) CYP19A1CYP17A1PTPN2PTPN1PTPRB
SCHEMBL560586 0.79 PTPN2 (0.53) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560587 0.79 PTPN2 (0.53) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL498333 0.79 CYP19A1 (0.44) CYP19A1PTPN2PTPN1PTPRBACP1
SCHEMBL498393 0.79 CYP19A1 (0.44) CYP19A1PTPN2PTPN1PTPRBACP1
SCHEMBL10028359 0.79 CYP19A1 (0.44) CYP19A1PTPN2PTPN1PTPRBACP1
SCHEMBL498348 0.79 CYP19A1 (0.44) CYP19A1PTPN2PTPN1PTPRBACP1
SCHEMBL498686 0.78 PTPN2 (0.54) PTPN2PTPN1PTPRBACP1ALDH1A1

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 533/4885CYP17A1 827/4885PTPN2 4866/4885
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 533/4885CYP17A1 827/4885PTPN2 4866/4885

“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.