SCHEMBL16169732

SCHEMBL16169732

OB(O)c1ccc2sc3ccc(O)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.46
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ TTR P02766 3/20 0.35
▸ PRKD1 Q15139 2/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ ALPI P09923 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ MAPKAPK2 P49137 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
SCHEMBL30408508 0.90 CA2 (0.41) ENPP2CA2CA1TTR
SCHEMBL1792101 0.90 CA2 (0.41) ENPP2CA2CA1TTR
SCHEMBL8208672 0.83 HTT (0.43) CA2PRKD1ICAM1SELEPRKD3
SCHEMBL31818 0.81 GPR3 (0.54) ENPP2CA2CA1MAOAMAOB
SCHEMBL22205186 0.77 CA1 (0.53) ENPP2CA2CA1MAPTHPGD
SCHEMBL24343663 0.76 KDM4E (0.50) CHEK1WEE1MAPTHPGD
SCHEMBL22330006 0.75 ENPP2 (0.44) ENPP2TTRMAPTHPGD
SCHEMBL14410474 0.75 MGLL (0.55) ENPP2CA2CA1
SCHEMBL29219008 0.75 ENPP2 (0.53) ENPP2CA2CA1DYRK1A
SCHEMBL25695834 0.74 GPR3 (0.45) ENPP2CA2CA1MAOAMAOB

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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 — — 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 ENPP2 340/4885CA2 2165/4885CA1 1478/4885

“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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