SCHEMBL5438405

SCHEMBL5438405

COc1ccc(S(=O)(=O)N(CC(C)C)C(O)(CCNC(=O)c2ccccc2C)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.48
MMP9 P14780 12/20 0.48
MMP1 P03956 11/20 0.48
LMNA P02545 1/20 0.45
CXCR3 P49682 2/20 0.42
HPGD P15428 1/20 0.42
OPRK1 P41145 2/20 0.41
OPRM1 P35372 1/20 0.41
ADAM17 P78536 3/20 0.41

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
SCHEMBL5397317 0.92 MMP13 (0.51) MMP13MMP9MMP1LMNACXCR3
SCHEMBL8762678 0.92 MMP1 (0.49) MMP13MMP9MMP1LMNACXCR3
SCHEMBL7461641 0.91 KEAP1 (0.46) MMP13MMP9MMP1LMNACXCR3
SCHEMBL7457670 0.91 MMP9 (0.49) MMP13MMP9MMP1LMNACXCR3
SCHEMBL6528689 0.90 CXCR3 (0.45) MMP13MMP9MMP1LMNACXCR3
SCHEMBL7458056 0.86 CXCR3 (0.48) LMNACXCR3HPGDOPRK1OPRM1
SCHEMBL2575788 0.85 MAPT (0.46) MMP13MMP9MMP1ADAM17
SCHEMBL2576472 0.85 KMT2A (0.44) MMP13MMP9MMP1ADAM17
SCHEMBL2578877 0.85 MMP13 (0.44) MMP13MMP9MMP1CXCR3
SCHEMBL6526546 0.83 HPGD (0.43) MMP13MMP9MMP1LMNACXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP claimed
US-7226932-B2 Self-emulsifying drug delivery system G.D. SEARLE LLC (US) 2007-06-05 US disclosed
US-20040048934-A1 Self-emulsifying drug delivery system G.D. SEARLE & CO. 2004-03-11 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 (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-20040048934-A1 Self-emulsifying drug delivery system LIPA, CEL, LSS MMP13 778/4885MMP9 2920/4885MMP1 1988/4885

“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.