SCHEMBL2807339

SCHEMBL2807339

CCCCC(C(N)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.55
MMP1 P03956 5/20 0.55
MMP7 P09237 4/20 0.55
MMP12 P39900 4/20 0.55
ACE P12821 3/20 0.55
MMP9 P14780 4/20 0.49
ADAM17 P78536 2/20 0.44
MMP2 P08253 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL27182979 0.87 MMP13 (0.57) MMP13MMP1MMP7MMP12ACE
SCHEMBL28842545 0.86 MMP13 (0.56) MMP13MMP1MMP7MMP12ACE
SCHEMBL2810869 0.83 PSIP1 (0.44) MMP13MMP1MMP7MMP12ACE
Hydrochloric Acid SCHEMBL5124022 0.82 PSIP1 (0.42) MMP13MMP1MMP7MMP12ACE
SCHEMBL12645204 0.82 MMP13 (0.52) MMP13MMP1MMP7MMP12ACE
SCHEMBL2023655 0.82 MMP13 (0.52) MMP13MMP1MMP7MMP12ACE
SCHEMBL7324090 0.82 MMP13 (0.71) MMP13MMP1MMP7MMP12ACE
SCHEMBL9754526 0.81 MMP9 (0.54) MMP13MMP1MMP7MMP12ACE
SCHEMBL12933668 0.81 MMP9 (0.54) MMP13MMP1MMP7MMP12ACE
SCHEMBL8997318 0.80 MMP3 (0.41) MMP13MMP1MMP7MMP12ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (1 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 MMP13 321/4885MMP1 206/4885MMP7 177/4885

“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.