SCHEMBL12569229

SCHEMBL12569229

CN[C@@H](CSc1cccc(Oc2ccccc2)c1N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.39
▸ MME P08473 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ ICMT O60725 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL12569196 0.86 MTNR1A (0.39) POLBKDM4EMAPTGAASMN1; SMN2
SCHEMBL1999992 0.84 ACE (0.36) ACEMMECPA1ACE2POLB
SCHEMBL12569236 0.82 MAPT (0.38) ACEMMECPA1ACE2POLB
SCHEMBL12569180 0.79 ITGB2 (0.40) POLBKDM4EL3MBTL1ATMNPSR1
SCHEMBL12569192 0.71 HPGD (0.42) POLBKDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL2001815 0.69 MAPT (0.35) ACEMMECPA1ACE2POLB
SCHEMBL12569145 0.68 ALDH1A1 (0.38) ACEMMECPA1ACE2KDM4E
SCHEMBL11191908 0.67 PTGS1 (0.51) POLBADRA2CMMP13CTNNB1L3MBTL1
SCHEMBL11004997 0.67 PRNP (0.51) POLBKDM4ENPSR1MAPTGAA
SCHEMBL11004988 0.67 PRNP (0.51) POLBKDM4ENPSR1MAPTGAA

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 ACE 530/4885MME 858/4885CPA1 4030/4885

“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.

Send feedback