SCHEMBL4204403

SCHEMBL4204403

Cc1cc(CNC(=O)O)on1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
VHL P40337 1/20 0.53
POLB P06746 4/20 0.49
USP2 O75604 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
KMT2A Q03164 2/20 0.44
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4664040 0.87 POLB (0.56) EPHX2VHLPOLBUSP2HCAR2
SCHEMBL21023373 0.83 LMNA (0.59) EPHX2VHLPOLBUSP2KMT2A
SCHEMBL6403162 0.82 POLB (0.54) EPHX2POLBUSP2KMT2AALDH1A1
SCHEMBL27232984 0.81 EPHX2 (0.40) EPHX2VHLPOLBUSP2KMT2A
SCHEMBL4009973 0.80 SMN1; SMN2 (0.48) POLBALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL8235172 0.79 EPHX2 (0.49) EPHX2VHLPOLBUSP2KMT2A
SCHEMBL4017999 0.79 IGF1R (0.44) EPHX2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL4013192 0.79 EPHX2 (0.44) EPHX2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL6402461 0.78 PPARA (0.49) EPHX2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL314832 0.77 VHL (0.65) EPHX2VHLPOLBUSP2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
EP-1954276-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 EP disclosed
WO-2007061763-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 WO 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-20090088452-A1 Indole Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR EPHX2 2029/4885VHL 575/4885POLB 4840/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP EPHX2 1188/4885VHL 3371/4885POLB 1793/4885

“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.