Sugi Predict

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SCHEMBL5455901

SCHEMBL5455901

CC(C)(C)OC(=O)NCCOc1c(Cl)cc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ IDO1 P14902 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP3A43 Q9HB55 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ FPR3 P25089 2/20 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
SCHEMBL14361066 0.84 AURKA (0.41) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL5450635 0.84 AURKA (0.41) AURKAAURKBFLT3MAPTMAPK1
Hydrochloric Acid SCHEMBL5460378 0.83 AURKA (0.41) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL5445044 0.83 AURKA (0.46) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL5463015 0.80 AURKA (0.46) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL5449269 0.78 AURKA (0.48) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL5458422 0.74 AURKA (0.46) AURKAAURKBFLT3MAPTMAPK1
SCHEMBL19353207 0.68 HDAC1 (0.39) FLT3MAPTCYP2C19
SCHEMBL17625481 0.68 MEN1 (0.37) AURKAAURKBFLT3MAPTCYP2C19
SCHEMBL20387775 0.67 CA12 (0.55) IDO1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 AURKA 869/4885AURKB 585/4885SIRT2 2955/4885

“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.