SCHEMBL16836697

SCHEMBL16836697

CC#CCOc1ccc2c(ccn2CCC(C)(C(=O)NO)S(C)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46

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
SCHEMBL16836698 1.00 MMP1 (0.46) MMP1MMP9MMP13ADAM17
SCHEMBL18423138 1.00 MMP1 (0.46) MMP1MMP9MMP13ADAM17
SCHEMBL16836696 0.90 MCL1 (0.42) MMP1MMP9MMP13ADAM17
SCHEMBL16836688 0.86 MCL1 (0.40) MMP1MMP9MMP13ADAM17
SCHEMBL16836724 0.82 MMP13 (0.34) MMP13ADAM17
SCHEMBL16836728 0.82 MMP13 (0.34) MMP13ADAM17
SCHEMBL16836661 0.81
SCHEMBL16569127 0.80 MMP1 (0.45) MMP1MMP9MMP13ADAM17
SCHEMBL17959797 0.80 MMP1 (0.45) MMP1MMP9MMP13ADAM17
SCHEMBL16569125 0.80 MMP1 (0.45) MMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 US claimed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 US claimed
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 EP disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 US disclosed
EP-3083567-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-26 EP disclosed
WO-2015091741-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-25 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 (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-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 MMP1 1922/4885MMP9 3609/4885MMP13 4145/4885

“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.