SCHEMBL16295085

SCHEMBL16295085

CC(C)(C)C(=O)Oc1cc2nc[nH]c(=O)c2cc1OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.47
▸ PARP1 P09874 10/20 0.44
▸ CHEK1 O14757 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ IP6K1 Q92551 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PDPK1 O15530 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38

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
SCHEMBL17967511 0.95 SRC (0.49) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL19874812 0.89 ENPP1 (0.41) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL1998529 0.84 SLC2A1 (0.54) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL8960 0.79 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL6253346 0.79 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL297611 0.79 SRC (0.52) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL3231833 0.77 SLC2A1 (0.47) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL8917 0.77 SRC (0.63) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL4018984 0.76 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3
SCHEMBL3725738 0.76 SLC2A1 (0.46) SLC2A1PARP1CHEK1PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 — — US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 — — US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 — — US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 — — US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 — — US disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 — — WO disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 — — WO disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 — — US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 — — US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 — — US disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 — — WO disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 — — WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 — — WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 — — 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 (2 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 SLC2A1 2413/4885PARP1 1966/4885CHEK1 366/4885
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 SLC2A1 1538/4885PARP1 3220/4885CHEK1 2995/4885

“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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