SCHEMBL16836688

SCHEMBL16836688

CC#CCOc1ccc2c(ccn2CCC(C)(C(=O)OCC)S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BCL2 P10415 3/20 0.36
ADAM17 P78536 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 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
SCHEMBL16836696 0.89 MCL1 (0.42) MCL1MTNR1AMTNR1BBCL2ADAM17
SCHEMBL16836697 0.86 MMP1 (0.46) ADAM17MMP1MMP9MMP13
SCHEMBL16836698 0.86 MMP1 (0.46) ADAM17MMP1MMP9MMP13
SCHEMBL18423138 0.86 MMP1 (0.46) ADAM17MMP1MMP9MMP13
SCHEMBL16569196 0.80 ADAM17 (0.34) MAOBADAM17MMP1MMP9MMP13
SCHEMBL16569198 0.80 ADAM17 (0.34) MAOBADAM17MMP1MMP9MMP13
SCHEMBL16836724 0.77 MMP13 (0.34) ADAM17MMP13
SCHEMBL16836728 0.77 MMP13 (0.34) ADAM17MMP13
SCHEMBL16836727 0.75 MCL1 (0.40) MCL1MTNR1AMTNR1BBCL2ADAM17
SCHEMBL16836717 0.74 MTNR1A (0.43) MCL1MTNR1AMTNR1BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 EP 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 MCL1 95/4885MTNR1A 529/4885MTNR1B 390/4885

“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.