SCHEMBL7457670

SCHEMBL7457670

COc1ccc(S(=O)(=O)N(CC(C)C)C(O)(CCNC(=O)c2ccccc2Cl)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.49
MMP1 P03956 6/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
MMP13 P45452 7/20 0.43
CXCR3 P49682 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
OPRK1 P41145 2/20 0.41
OPRM1 P35372 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL5438405 0.91 MMP13 (0.48) MMP9MMP1LMNAMMP13CXCR3
SCHEMBL7461641 0.90 KEAP1 (0.46) MMP9MMP1LMNAALDH1A1SMN1; SMN2
SCHEMBL6528689 0.88 CXCR3 (0.45) MMP9MMP1LMNAALDH1A1MMP13
SCHEMBL5397317 0.86 MMP13 (0.51) MMP9MMP1LMNAMMP13CXCR3
SCHEMBL8762678 0.86 MMP1 (0.49) MMP9MMP1LMNAALDH1A1MMP13
SCHEMBL7458056 0.85 CXCR3 (0.48) LMNAALDH1A1MAPTSIGMAR1CXCR3
SCHEMBL5426083 0.82 CXCR3 (0.45) MMP9MMP1LMNAALDH1A1MAPT
SCHEMBL2581364 0.82 CXCR3 (0.45) MMP9MMP1LMNAALDH1A1MAPT
SCHEMBL7620808 0.81 MMP13 (0.41) MMP9MMP1ALDH1A1MMP13CXCR3
SCHEMBL4971530 0.81 MMP1 (0.42) MMP9MMP1ALDH1A1MMP13CXCR3

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 2 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-20130317040-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS THE FEINSTEIN INSTITUTE OF MEDICAL RESEARCH (US) 2013-11-28 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-20130317040-A1 METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS USING HIV PROTEASE INHIBITORS SSB, PREP, SERPINB1 MMP9 153/4885MMP1 79/4885LMNA 612/4885

“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.