SCHEMBL351155

SCHEMBL351155

Cc1c(Cl)cccc1SCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.43
S100A4 P26447 1/20 0.41
CDC25B P30305 1/20 0.41
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 4/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6243529 0.82 CYP1A2 (0.53) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1661817 0.82 CYP1A2 (0.53) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1157659 0.82 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29812491 0.82 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11872653 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL8179309 0.79 CYP1A2 (0.69) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3070296 0.78 POLB (0.62) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7994239 0.78 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3064663 0.77 FFAR1 (0.54) CYP1A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8088430 0.76 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2POLBLMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
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-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 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-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-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
EP-1910367-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 (6 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-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 CYP1A2 739/4885KDM4E 1834/4885ALDH1A1 1873/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885KDM4E 2058/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CYP1A2 763/4885KDM4E 2058/4885ALDH1A1 1806/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885KDM4E 2058/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885KDM4E 2058/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP1A2 763/4885KDM4E 2058/4885ALDH1A1 1806/4885

“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.