SCHEMBL2003238

SCHEMBL2003238

COC(=O)Cc1cn(C(C)=O)c2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
GLA P06280 2/20 0.49
GAA P10253 1/20 0.49
AKR1C3 P42330 3/20 0.44
EGFR P00533 2/20 0.43
HSP90AB1 P08238 1/20 0.40
SPR P35270 1/20 0.39
MTNR1A P48039 1/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
ICMT O60725 1/20 0.36
AKR1C2 P52895 1/20 0.36
HTR6 P50406 1/20 0.36
HSD17B3 P37058 1/20 0.35

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
SCHEMBL12568301 0.85 AKR1C3 (0.57) ALDH1A1KDM4EAKR1C3MTNR1AHPGD
SCHEMBL4229024 0.85 LCK (0.43) ALDH1A1GLAAKR1C3HPGDTSHR
SCHEMBL2085331 0.83 KDM4E (0.51) ALDH1A1KDM4EGLAGAAAKR1C3
SCHEMBL3688161 0.79 ICMT (0.48) ALDH1A1KDM4EGLAGAAAKR1C3
SCHEMBL2686872 0.75 SPR (0.62) ALDH1A1KDM4EGLAGAAAKR1C3
SCHEMBL26683947 0.75 AKR1C3 (0.45) ALDH1A1KDM4EGLAGAAAKR1C3
SCHEMBL2083694 0.73 KDM4E (0.42) ALDH1A1KDM4EGLAGAAAKR1C3
SCHEMBL4222752 0.73 AKR1C3 (0.56) KDM4EAKR1C3MTNR1AMAPTAKR1C2
SCHEMBL24813004 0.72 AKR1C3 (0.51) ALDH1A1KDM4EAKR1C3HPGDMAPT
SCHEMBL30708130 0.72 AKR1C3 (0.51) ALDH1A1KDM4EAKR1C3HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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 (2 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT ALDH1A1 198/4885KDM4E 1373/4885GLA 696/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT ALDH1A1 198/4885KDM4E 1373/4885GLA 696/4885

“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.