SCHEMBL17039175

SCHEMBL17039175

C=CCSc1ccc(Oc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDCBP O00560 1/20 0.47
▸ SDC2 P34741 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ FPR3 P25089 1/20 0.36

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
SCHEMBL12290721 0.83 CYP17A1 (0.42) NAMPTGAAMAPTALDH1A1HPGD
SCHEMBL17026722 0.83 ALDH1A1 (0.45) L3MBTL1GAACYP1A2CYP3A4CYP2C9
SCHEMBL17039174 0.80 ACACB (0.50) HDAC1MAPTTDP1ALDH1A1
SCHEMBL3180689 0.76 L3MBTL1 (0.61) SDCBPSDC2L3MBTL1NAMPTHDAC1
SCHEMBL17171415 0.76 EPHX2 (0.57) SDCBPSDC2L3MBTL1NAMPTHDAC1
SCHEMBL19654454 0.76 L3MBTL1 (0.52) SDCBPSDC2L3MBTL1NAMPTHDAC1
SCHEMBL314044 0.75 MMP9 (0.44) GAAMAPTALDH1A1
SCHEMBL11523954 0.75 ALDH1A1 (0.52) SDCBPSDC2L3MBTL1NAMPTHDAC1
SCHEMBL4616649 0.75 MAPK14 (0.53) L3MBTL1NAMPTHDAC1CA1CYP3A4
SCHEMBL11523953 0.75 SDCBP (0.52) SDCBPSDC2L3MBTL1NAMPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357546-B2 Acceleration of diabetic wound healing UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-23 — — US disclosed
US-9951035-B2 Selective matrix metalloproteinase inhibitors UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 — — US disclosed
US-20170274053-A1 ACCELERATION OF DIABETIC WOUND HEALING UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-09-28 — — 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-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-01-19 — — US disclosed
WO-2016044844-A1 ACCELERATION OF DIABETIC WOUND HEALING UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-03-24 — — WO 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 (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-20170274053-A1 ACCELERATION OF DIABETIC WOUND HEALING MMP8, MMP9, MMP1 SDCBP 2587/4885SDC2 984/4885L3MBTL1 4328/4885
US-20170190685-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 SDCBP 4016/4885SDC2 834/4885L3MBTL1 3997/4885
US-20170015647-A1 SELECTIVE MATRIX METALLOPROTEINASE INHIBITORS MMP14, MMP9, MMP13 SDCBP 4016/4885SDC2 834/4885L3MBTL1 3997/4885
US-10357546-B2 Acceleration of diabetic wound healing MMP8, MMP9, MMP1 SDCBP 2587/4885SDC2 984/4885L3MBTL1 4328/4885

“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.

Send feedback