Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108517

SCHEMBL1108517

SCHEMBL1108517

CCN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 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
SCHEMBL1101198 1.00 HTT (0.46) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1108514 0.88 MMP2 (0.39) HTTLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL1108572 0.85 LMNA (0.43) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1100382 0.85 LMNA (0.43) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1098869 0.85 SMN1; SMN2 (0.51) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1108566 0.85 SMN1; SMN2 (0.51) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1101147 0.82 LMNA (0.53) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1108504 0.82 LMNA (0.53) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1100178 0.82 LMNA (0.53) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1108551 0.82 LMNA (0.53) HTTLMNASMN1; SMN2NPC1RAB9A

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-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 — — US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 — — US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 — — US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 — — US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 — — US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 — — US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 — — US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 — — US 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 (3 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 HTT 3958/4885LMNA 2791/4885SMN1; SMN2 1262/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 HTT 3958/4885LMNA 2791/4885SMN1; SMN2 1262/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 HTT 4646/4885LMNA 2081/4885SMN1; SMN2 1982/4885

“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.