SCHEMBL10164103

SCHEMBL10164103

CS(=O)(=O)c1cc(C#N)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.45
TRPV4 Q9HBA0 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 1/20 0.39
STS P08842 1/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CASP3 P42574 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
EPAS1 Q99814 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP2A6 P11509 1/20 0.35
ALPL P05186 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
SCHEMBL125367 0.81 RAD51 (0.45) RAD51TRPV4ALDH1A1PTGS2EPAS1
SCHEMBL12327903 0.81 SGK1 (0.41) ALDH1A1HTTKCNJ1KCNH2NR1H2
SCHEMBL12560333 0.79 VCAM1 (0.46) RAD51TRPV4PTGS2EPAS1SLC22A12
SCHEMBL8255487 0.79 RAD51 (0.44) RAD51TRPV4ALDH1A1PTGS2STS
SCHEMBL15412234 0.79 ACLY (0.49) RAD51TRPV4PTGS2NR1H2NR1H3
SCHEMBL17505017 0.79 MAOB (0.40) ALDH1A1HTTKCNJ1KCNH2NR1H2
SCHEMBL21013691 0.79 ALDH1A1 (0.40) RAD51ALDH1A1HTTKCNJ1KCNH2
SCHEMBL22046331 0.79 L3MBTL1 (0.52) ALDH1A1HTTKCNJ1KCNH2NR1H2
SCHEMBL1271815 0.79 EPAS1 (0.42) ALDH1A1HTTPTGS2KCNJ1KCNH2
SCHEMBL12560129 0.79 VCAM1 (0.46) ALDH1A1HTTEPAS1SLC22A12CYP2A6

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
CN-113130994-A Electrolyte and electrochemical device comprising same 深圳市研一新材料有限责任公司 2021-07-16 CN claimed
CN-113130994-A Electrolyte and electrochemical device comprising same 深圳市研一新材料有限责任公司 2021-07-16 CN 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-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

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 RAD51 3992/4885TRPV4 2360/4885ALDH1A1 1806/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 RAD51 3992/4885TRPV4 2360/4885ALDH1A1 1806/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RAD51 3992/4885TRPV4 2360/4885ALDH1A1 1806/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RAD51 3992/4885TRPV4 2360/4885ALDH1A1 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.