SCHEMBL4298537

SCHEMBL4298537

C[C@@H]([C@@H]1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C)N(O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HSD11B1 P28845 1/20 0.39
ABCB1 P08183 1/20 0.38
UCHL1 P09936 1/20 0.36
MCL1 Q07820 3/20 0.36
KLK7 P49862 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
GHSR Q92847 2/20 0.35
CETP P11597 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KLK5 Q9Y337 1/20 0.35
HTRA1 Q92743 1/20 0.35
HCRTR1 O43613 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34

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
SCHEMBL4298541 0.80 JAK2 (0.42) JAK2JAK1HSD11B1ABCB1UCHL1
SCHEMBL4564096 0.80 JAK2 (0.42) JAK2JAK1HSD11B1ABCB1UCHL1
SCHEMBL7859048 0.80 HTRA1 (0.38) JAK2JAK1ABCB1UCHL1GPR119
SCHEMBL6404153 0.80 HTRA1 (0.38) JAK2JAK1ABCB1UCHL1GPR119
SCHEMBL7859886 0.79 NR1H2 (0.46) JAK2JAK1ABCB1UCHL1KLK7
SCHEMBL9020776 0.78 ABCB1 (0.40) JAK2JAK1ABCB1MCL1GPR119
SCHEMBL9020645 0.78 LMNA (0.42) JAK2JAK1ABCB1MCL1GPR119
SCHEMBL7804688 0.78 GPR119 (0.40) JAK2JAK1KLK7GPR119
SCHEMBL15632378 0.77 ABCB1 (0.39) ABCB1MCL1GPR119GHSR
SCHEMBL4293924 0.76 NR1H2 (0.32) CHRM2CHRM1CHRM3HTRA1NR1H2

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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 JAK2 3899/4885JAK1 3808/4885HSD11B1 2280/4885

“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.