SCHEMBL4300613

SCHEMBL4300613

CC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
NR1H2 P55055 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31
HTRA1 Q92743 1/20 0.31
MCL1 Q07820 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 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
SCHEMBL4300617 1.00 UCHL1 (0.37) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL29548437 0.89 UCHL1 (0.37) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL18577100 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL239646 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL3832181 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL29203075 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL3832206 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2708045 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2809688 0.89 UCHL1 (0.39) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL30176172 0.88 UCHL1 (0.36) UCHL1NR1H2CYP1A2POLBCYP3A4

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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 UCHL1 4361/4885NR1H2 940/4885CYP1A2 295/4885

“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.