SCHEMBL5173543

SCHEMBL5173543

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N(C)C)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.43
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BMP1 P13497 7/20 0.38
▸ VIPR2 P41587 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEP1B Q16820 1/20 0.36
▸ TAS2R14 Q9NYV8 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
SCHEMBL5633526 0.88 BACE1 (0.43) BACE1MMP2MMP13ALDH1A1HPGD
SCHEMBL5634518 0.88 BACE1 (0.42) BACE1MMP2MMP13ALDH1A1HPGD
SCHEMBL7243370 0.87 BACE1 (0.42) BACE1MMP2MMP13ALDH1A1HPGD
SCHEMBL5633798 0.87 BACE1 (0.42) BACE1MMP2MMP13BMP1
SCHEMBL5634147 0.86 BACE1 (0.41) BACE1MMP2MMP13BMP1KEAP1
SCHEMBL6261536 0.86 BMP1 (0.45) BACE1ALDH1A1HTTBMP1LMNA
SCHEMBL5632828 0.83 BMP1 (0.43) BACE1MMP2MMP13ALDH1A1HTT
SCHEMBL6260340 0.82 BMP1 (0.48) BACE1MMP13ALDH1A1HTTBMP1
SCHEMBL6260176 0.81 BMP1 (0.39) BACE1MMP2MMP13ALDH1A1HTT
SCHEMBL8183791 0.81 ALDH1A1 (0.46) MMP2MMP13ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 — — EP claimed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 — — EP claimed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 — — US claimed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 — — US claimed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 — — US claimed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP BACE1 54/4885MMP2 271/4885MMP13 512/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP BACE1 54/4885MMP2 271/4885MMP13 512/4885

“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.

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