SCHEMBL8255644

SCHEMBL8255644

NC(=O)[C@H](NCl)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
KEAP1 Q14145 1/20 0.43
POLB P06746 3/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK10 P53779 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DAO P14920 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
SCHEMBL10388765 0.84 ALOX5 (0.46) ALOX5CES2CES1KEAP1POLB
SCHEMBL3028400 0.81 ALOX5 (0.44) ALOX5CES2CES1KEAP1POLB
SCHEMBL8947244 0.80 ALOX5 (0.50) ALOX5CES2CES1KEAP1POLB
SCHEMBL14401971 0.77 ADAM17 (0.45) ALOX5CES2CES1KEAP1POLB
SCHEMBL14469909 0.77 ADAM17 (0.45) ALOX5CES2CES1KEAP1POLB
Hydrochloric Acid SCHEMBL9326175 0.77 ALOX5 (0.41) ALOX5CES2CES1KEAP1POLB
SCHEMBL8853390 0.77 ALOX5 (0.50) ALOX5CES2CES1KEAP1POLB
SCHEMBL602500 0.77 ALOX5 (0.50) ALOX5CES2CES1KEAP1POLB
SCHEMBL8760984 0.76 ALOX5 (0.40) ALOX5CES2CES1KEAP1POLB
SCHEMBL11522039 0.75 ALOX5 (0.45) ALOX5CES2CES1KEAP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885

“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.