SCHEMBL17039174

SCHEMBL17039174

C=CCSc1ccc(Oc2ccc(-c3noc(CNC(=O)OC(C)(C)C)n3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.50
▸ MAPT P10636 8/20 0.43
▸ TP53 P04637 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL17026736 0.87 ACACB (0.53) ACACBMAPTTP53KMT2AMEN1
SCHEMBL20078579 0.84 ACACB (0.48) ACACBMAPTTP53KMT2AMEN1
SCHEMBL17039175 0.80 SDCBP (0.47) MAPTALDH1A1TDP1HDAC1
SCHEMBL14679174 0.78 MAPT (0.66) ACACBMAPTTP53KMT2AALDH1A1
SCHEMBL28346545 0.78 MAPT (0.45) ACACBMAPTTP53KMT2AMEN1
SCHEMBL4516428 0.76 GPR119 (0.53) ACACBMAPTTP53KMT2AMEN1
SCHEMBL29471397 0.75 MAPT (0.61) MAPTTP53KMT2ASMN1; SMN2PKM
SCHEMBL1106583 0.74 MAPT (0.50) ACACBMAPTTP53KMT2AMEN1
SCHEMBL8279808 0.74 MAPT (0.50) ACACBMAPTTP53KMT2AMEN1
SCHEMBL17039176 0.74 MMP2 (0.51) ACACBMAPTTP53KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 — — US disclosed
US-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 — — US disclosed
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-06 — — US disclosed
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-06 — — US disclosed
US-9604957-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 — — US disclosed
US-9604957-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 — — US disclosed
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-01-19 — — US disclosed
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-01-19 — — US disclosed
WO-2015127302-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-08-27 — — 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 (2 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-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 ACACB 1373/4885MAPT 1297/4885TP53 3143/4885
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 ACACB 1373/4885MAPT 1297/4885TP53 3143/4885

“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.

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