SCHEMBL20131722

SCHEMBL20131722

CCO[C@@H]1O[C@H](C(=O)O)C[C@H](O)[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 1/20 0.34
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ FGF2 P09038 1/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ PPP5C P53041 1/20 0.31

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
SCHEMBL24212765 1.00 TK1 (0.34) TK1PPM1BPTPN1PPP1CCFGF2
SCHEMBL15357448 1.00 TK1 (0.34) TK1PPM1BPTPN1PPP1CCFGF2
SCHEMBL22828158 1.00 TK1 (0.34) TK1PPM1BPTPN1PPP1CCFGF2
SCHEMBL20131876 0.82 RAB9A (0.31) FGF2
SCHEMBL22828540 0.80 LGALS8 (0.36) TK1PPM1BPTPN1PPP1CC
SCHEMBL24212703 0.80 LGALS8 (0.36) TK1PPM1BPTPN1PPP1CC
SCHEMBL17267039 0.80 LGALS8 (0.36) TK1PPM1BPTPN1PPP1CC
SCHEMBL21767050 0.77 TK1 (0.40) TK1
SCHEMBL21134683 0.77 — —
SCHEMBL21765949 0.76 — —

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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R TK1 2715/4885PPM1B 4322/4885PTPN1 704/4885

“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.

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