SCHEMBL8057356

SCHEMBL8057356

COC(=O)c1ccc(C#N)c(S(C)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.52
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
CMA1 P23946 4/20 0.42
HPGD P15428 4/20 0.42

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
SCHEMBL19602389 0.88 VCAM1 (0.56) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL22636952 0.87 ALDH1A1 (0.46) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8148281 0.80 CA1 (0.52) KDM4ESMN1; SMN2HSD17B10ALDH1A1CYP1A2
SCHEMBL3430038 0.79 KDM4E (0.43) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8896168 0.79 PTGS2 (0.47) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8918126 0.79 CA12 (0.65) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4598114 0.78 KDM4E (0.57) KDM4ESMN1; SMN2HSD17B10ALDH1A1CYP1A2
SCHEMBL1495428 0.78 VCAM1 (0.57) VCAM1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL2427132 0.78 CA1 (0.62) KDM4ESMN1; SMN2HSD17B10ALDH1A1L3MBTL1
SCHEMBL536163 0.78 S1PR3 (0.51) KDM4ESMN1; SMN2HSD17B10ALDH1A1CA12

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 13 patents. 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-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-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-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-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed
CN-1205698-A Heterocyclyl-condensed benzoylguanidines, their prodn. and use as inhibitors of cellular Na+/H+-antiporter MERCK PATENT GES MIT BESCHR KT (DE) 1999-01-20 CN 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 VCAM1 1222/4885KDM4E 2058/4885SMN1; SMN2 4594/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 VCAM1 1222/4885KDM4E 2058/4885SMN1; SMN2 4594/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 VCAM1 1222/4885KDM4E 2058/4885SMN1; SMN2 4594/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 VCAM1 1222/4885KDM4E 2058/4885SMN1; SMN2 4594/4885

“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.