SCHEMBL4481689

SCHEMBL4481689

COc1ccc(NC(=O)O)c(C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HPGD P15428 2/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
F10 P00742 1/20 0.47
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
KCNK2 O95069 1/20 0.46
CA2 P00918 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL1026559 0.88 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL12285331 0.83 MAPT (0.63) MAPK1MAPTMEN1KMT2AF10
SCHEMBL7410024 0.83 CYP1A2 (0.55) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL14191238 0.83 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL15233664 0.83 F10 (0.72) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL14854032 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL6117229 0.81 RAB9A (0.61) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL11374252 0.80 MAPT (0.62) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL848495 0.80 AKR1C3 (0.67) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL5833241 0.79 ALDH1A1 (0.73) ALDH1A1HPGDMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOUYSSOU THIERRY 2008-08-14 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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 (3 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-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 ALDH1A1 1311/4885HPGD 1575/4885CYP3A4 985/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 ALDH1A1 1413/4885HPGD 1682/4885CYP3A4 2509/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 ALDH1A1 1461/4885HPGD 786/4885CYP3A4 923/4885

“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.