SCHEMBL5634518

SCHEMBL5634518

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.42
▸ BMP1 P13497 9/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 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 0.99 BACE1 (0.43) BACE1BMP1ALDH1A1HPGDMMP2
SCHEMBL7243370 0.94 BACE1 (0.42) BACE1BMP1ALDH1A1HPGDMMP2
SCHEMBL5633798 0.94 BACE1 (0.42) BACE1BMP1MMP2MMP13MEN1
SCHEMBL5634147 0.93 BACE1 (0.41) BACE1BMP1MMP2MMP13MEN1
SCHEMBL6261536 0.92 BMP1 (0.45) BACE1BMP1ALDH1A1MEN1KMT2A
SCHEMBL5632828 0.89 BMP1 (0.43) BACE1BMP1ALDH1A1MMP2MMP13
SCHEMBL5633562 0.89 MMP3 (0.38) BACE1ALDH1A1HPGDMMP2MMP13
SCHEMBL6260340 0.88 BMP1 (0.48) BACE1BMP1ALDH1A1MMP13SMN1; SMN2
SCHEMBL6260176 0.88 BMP1 (0.39) BACE1BMP1ALDH1A1MMP2MMP13
SCHEMBL5173543 0.88 BACE1 (0.43) BACE1BMP1ALDH1A1HPGDMMP2

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
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US claimed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 — — US 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
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 (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-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP BACE1 54/4885BMP1 2539/4885ALDH1A1 2388/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP BACE1 63/4885BMP1 3507/4885ALDH1A1 2674/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP BACE1 54/4885BMP1 2539/4885ALDH1A1 2388/4885

“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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