SCHEMBL1273334

SCHEMBL1273334

CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
VHL P40337 10/20 0.49
HTRA1 Q92743 1/20 0.48
ELOC Q15369 3/20 0.46
ELOB Q15370 3/20 0.46
TACR1 P25103 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL15110596 0.89 CYP1A2 (0.53) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL24838309 0.89 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL16266822 0.89 CYP1A2 (0.53) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL18573054 0.88 HDAC8 (0.54) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL24413712 0.87 POLB (0.52) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL26655212 0.86 VHL (0.52) POLBCYP1A2CYP3A4CYP2C19VHL
SCHEMBL24837775 0.86 CYP1A2 (0.51) POLBCYP1A2CYP3A4CYP2C19HDAC8
SCHEMBL1272783 0.85 HDAC8 (0.49) POLBCYP3A4CYP2C19HDAC8HTRA1
SCHEMBL1273269 0.85 HDAC8 (0.49) POLBCYP3A4CYP2C19HDAC8HTRA1
SCHEMBL25565558 0.84 VHL (0.51) POLBCYP3A4CYP2C19VHLELOC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 POLB 4783/4885CYP1A2 4472/4885CYP3A4 4580/4885

“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.