SCHEMBL16295087

SCHEMBL16295087

CC(C)(C)C(=O)Oc1cc2c(Cl)ncnc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.44
▸ AURKB Q96GD4 2/20 0.35
▸ RET P07949 7/20 0.35
▸ KDR P35968 7/20 0.35
▸ KIF5B P33176 6/20 0.35
▸ CA2 P00918 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ ELANE P08246 3/20 0.35
▸ EGFR P00533 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16294645 0.90 ENPP1 (0.50) ENPP1KDRAURKAELANEEGFR
SCHEMBL17967514 0.85 ENPP1 (0.59) ENPP1RETKDRKIF5BAURKA
SCHEMBL16294230 0.80 ENPP1 (0.54) ENPP1KDREGFR
SCHEMBL19874812 0.79 ENPP1 (0.41) ENPP1KDRALDH1A1
SCHEMBL30054610 0.78 ENPP1 (0.63) ENPP1AURKBRETKDRKIF5B
SCHEMBL296984 0.78 ENPP1 (0.63) ENPP1AURKBRETKDRKIF5B
SCHEMBL18013041 0.77 PDE10A (0.38) RETKDRKIF5BELANEEGFR
SCHEMBL17967513 0.77 ENPP1 (0.41) ENPP1KDRELANEEGFR
SCHEMBL4020394 0.74 ENPP1 (0.51) ENPP1AURKBRETKDRKIF5B
SCHEMBL1999978 0.74 ENPP1 (0.54) ENPP1KDREGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 ENPP1 3752/4885AURKB 854/4885RET 3108/4885

“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.

Send feedback