Sugi Predict

Sugi Predict / Compounds / SCHEMBL8246353

SCHEMBL8246353

SCHEMBL8246353

NC(=O)[C@H](NCl)c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL2652604 0.81 ALOX5 (0.44) ALOX5CES2CES1HDAC1LCK
SCHEMBL31462137 0.76 ALOX5 (0.49) ALOX5CES2CES1HDAC1LCK
Hydrochloric Acid SCHEMBL11791881 0.75 ALOX5 (0.41) ALOX5CES2CES1HDAC1LCK
SCHEMBL8253342 0.75 CTSS (0.46) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8255743 0.75 ALOX5 (0.51) ALOX5CES2CES1HDAC1LCK
SCHEMBL4603992 0.75 ALOX5 (0.51) ALOX5CES2CES1HDAC1LCK
SCHEMBL3976361 0.75 ALOX5 (0.51) ALOX5CES2CES1HDAC1LCK
SCHEMBL10759383 0.75 ALOX5 (0.56) ALOX5CES2CES1HDAC1LCK
SCHEMBL7466610 0.73 ALOX5 (0.50) ALOX5CES2CES1HDAC1LCK
SCHEMBL9814548 0.73 ALOX5 (0.50) ALOX5CES2CES1HDAC1LCK

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.