SCHEMBL12216211

SCHEMBL12216211

Bc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.65
▸ CASP1 P29466 3/20 0.65
▸ CASP7 P55210 3/20 0.65
▸ ALOX15 P16050 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ GAA P10253 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ BRCA1 P38398 2/20 0.65
▸ HBB P68871 2/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ HTT P42858 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ SLC16A3 O15427 1/20 0.61
▸ MAPT P10636 3/20 0.49

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
SCHEMBL10085116 0.87 USP2 (0.62) USP2CASP1CASP7ALOX15MEN1
SCHEMBL26307770 0.80 SLC16A3 (0.74) USP2CASP1CASP7ALOX15MEN1
SCHEMBL2843124 0.78 SLC16A3 (0.80) USP2CASP1CASP7ALOX15MEN1
SCHEMBL29413851 0.78 SLC16A3 (0.80) USP2CASP1CASP7ALOX15MEN1
SCHEMBL12511762 0.78 SLC16A3 (0.83) USP2CASP1CASP7ALOX15MEN1
SCHEMBL10086132 0.78 USP2 (0.57) USP2CASP1CASP7ALOX15MEN1
SCHEMBL29364862 0.77 SLC16A3 (1.00) USP2CASP1CASP7ALOX15MEN1
SCHEMBL45609 0.77 SLC16A3 (1.00) USP2CASP1CASP7ALOX15MEN1
SCHEMBL16900679 0.77 SLC16A3 (0.70) USP2CASP1CASP7ALOX15MEN1
SCHEMBL10082362 0.76 SLC16A3 (0.80) USP2CASP1CASP7ALOX15MEN1

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-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — 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-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 USP2 3927/4885CASP1 1108/4885CASP7 1997/4885

“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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