SCHEMBL10143934

SCHEMBL10143934

CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCCC2)c1C

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 16/20 0.98
▸ HPGD P15428 13/20 0.98
▸ KDM4E B2RXH2 7/20 0.98
▸ TSHR P16473 7/20 0.98
▸ MAPK1 P28482 5/20 0.98
▸ KMT2A Q03164 4/20 0.82
▸ MEN1 O00255 3/20 0.82
▸ HSD17B10 Q99714 5/20 0.66
▸ MAPT P10636 2/20 0.66
▸ POLB P06746 1/20 0.66
▸ NPSR1 Q6W5P4 5/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ PTGER2 P43116 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ GAA P10253 2/20 0.61
▸ PHGDH O43175 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ CASP1 P29466 1/20 0.54

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
SCHEMBL8288738 0.85 HPGD (0.74) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL5449432 0.76 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL5456095 0.72 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL3455406 0.71 KMT2A (0.72) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL3455797 0.71 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL3456893 0.71 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL19066920 0.71 PHGDH (1.00) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL3455394 0.70 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL15272557 0.70 CYBB (1.00) ALDH1A1HPGDKDM4ETSHRMAPK1
SCHEMBL4140119 0.69 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ETSHRMAPK1

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 — — 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 ALDH1A1 2125/4885HPGD 989/4885KDM4E 3708/4885

“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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