SCHEMBL12569181

SCHEMBL12569181

CN[C@@H](CSc1cccc(F)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALB P02768 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL12569192 0.84 HPGD (0.42) ALDH1A1KDM4EMAPTAKR1C3AKR1C2
SCHEMBL1994816 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTAKR1C3AKR1C2
SCHEMBL12569236 0.81 MAPT (0.38) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL12569180 0.80 ITGB2 (0.40) ALDH1A1KDM4EITGB2ICAM1ITGAL
SCHEMBL12569093 0.73 PDE7A (0.46) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL12569086 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL12569143 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EMAPT
SCHEMBL3157893 0.70 HPGD (0.36) ALDH1A1KDM4EMAPTAKR1C3AKR1C2
SCHEMBL29522638 0.70 ITGB2 (0.44) ITGB2ICAM1ITGALPOLBGAA
SCHEMBL695119 0.70 ITGB2 (0.44) ITGB2ICAM1ITGALPOLBGAA

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 297/4885KDM4E 392/4885MAPT 854/4885

“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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