SCHEMBL3551535

SCHEMBL3551535

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)O)C[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 7/20 0.43
CYP2C9 P11712 1/20 0.43
BTK Q06187 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RET P07949 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
SCHEMBL1710340 1.00 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3139667 1.00 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3131378 1.00 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1710288 0.89 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL29187864 0.89 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL27659323 0.89 HSD11B1 (0.48) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL18956312 0.89 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL15873170 0.89 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3221645 0.89 CTSK (0.44) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3824957 0.87 CTSK (0.40) CTSKCA1CA2HSD11B1CYP2C9

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-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS CTSK 1772/4885CA1 3558/4885CA2 1285/4885

“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.