Sugi Predict

Sugi Predict / Compounds / SCHEMBL944078

SCHEMBL944078

SCHEMBL944078

C[C@@]1(CSCc2ccccc2)NC(=O)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ADAM17 P78536 3/20 0.40
▸ MMP2 P08253 4/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ MMP9 P14780 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 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
SCHEMBL941900 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1ADAM17MMP2
SCHEMBL940446 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1ADAM17MMP2
SCHEMBL3457549 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPSR1ADAM17MMP2
SCHEMBL8661339 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ADAM17CACNA1FMAPT
SCHEMBL5935684 0.79 ALDH1A1 (0.42) ALDH1A1ADAM17MMP2MMP9CACNA1F
SCHEMBL13103908 0.79 ALDH1A1 (0.42) ALDH1A1ADAM17MMP2MMP9CACNA1F
SCHEMBL7097777 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPSR1ADAM17MMP2
SCHEMBL15972776 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPSR1ADAM17MMP2
SCHEMBL8660050 0.76 ALDH1A1 (0.39) ALDH1A1ADAM17CACNA1FMAPTCYP2C9
SCHEMBL8660046 0.76 ALDH1A1 (0.39) ALDH1A1ADAM17CACNA1FMAPTCYP2C9

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
EP-1676846-B1 Hydantoin derivatives as MMP inhibitors ASTRAZENECA AB (SE) 2010-12-29 — — EP disclosed
EP-1676846-B1 Hydantoin derivatives as MMP inhibitors ASTRAZENECA AB (SE) 2010-12-29 — — EP disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 — — US disclosed
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 — — EP disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 — — US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 — — US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 — — US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 — — US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 — — US disclosed
WO-2004024698-A1 1-SULPHONYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-25 — — WO disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
EP-1370537-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO disclosed
WO-2002074751-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — 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 (5 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 ALDH1A1 612/4885SMN1; SMN2 2584/4885NPSR1 2119/4885
US-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ALDH1A1 1381/4885SMN1; SMN2 1262/4885NPSR1 375/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 ALDH1A1 573/4885SMN1; SMN2 3138/4885NPSR1 2601/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 ALDH1A1 1172/4885SMN1; SMN2 1982/4885NPSR1 358/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885SMN1; SMN2 2809/4885NPSR1 448/4885

“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.