SCHEMBL12569145

SCHEMBL12569145

CN[C@@H](CSc1c(N)cccc1-c1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ S100A4 P26447 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12569158 0.85 PTGDR2 (0.39) HSD17B10L3MBTL1ADAMTS4
SCHEMBL12569087 0.83 NPSR1 (0.33) MAPK13MAPK12MAPK11MAPK14L3MBTL1
SCHEMBL1999224 0.81 NPSR1 (0.34) ALDH1A1HSD17B10KMT2AMAPTHTT
SCHEMBL12569143 0.80 ALDH1A1 (0.46) ALDH1A1MAPTADAMTS4S100A4KDM4E
SCHEMBL12345898 0.74 KDM4E (0.39) ALDH1A1HSD17B10KMT2AMAPK13MAPK12
SCHEMBL3785266 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10KMT2AMAPTHTT
SCHEMBL12569180 0.69 ITGB2 (0.40) ALDH1A1KMT2AL3MBTL1HDAC1KDM4E
SCHEMBL15564582 0.69 PPARA (0.56) ACE
SCHEMBL15564586 0.69 PPARA (0.56) ACE
SCHEMBL12345905 0.68 KDM4E (0.45) ALDH1A1KMT2AMAPTHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 — — US disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 — — 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-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C ALDH1A1 297/4885HSD17B10 121/4885KMT2A 405/4885

“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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