SCHEMBL12414701

SCHEMBL12414701

CC(C)C(=O)O[C@H]1CNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.33
PDE4A P27815 4/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL12414703 1.00 TSHR (0.36) TSHRCYP19A1PDE4APDE4BPDE4C
SCHEMBL18472040 0.79 POLB (0.34) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL3744381 0.79 POLB (0.34) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL21026696 0.79 POLB (0.34) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL792893 0.77 ITGB1 (0.32) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL31441632 0.77 ITGB1 (0.32) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL18725504 0.76 ATM (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL27358271 0.74 PDE4A (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL18009175 0.74 KEAP1 (0.30)
SCHEMBL18358108 0.73 TSHR (0.44) TSHRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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 (1 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 TSHR 1418/4885CYP19A1 160/4885PDE4A 294/4885

“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.