SCHEMBL7243370

SCHEMBL7243370

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.42
▸ BMP1 P13497 9/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM5 P08912 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 0.94 BACE1 (0.43) BACE1BMP1MMP2MMP13KMT2A
SCHEMBL5634518 0.94 BACE1 (0.42) BACE1BMP1MMP2MMP13KMT2A
SCHEMBL5633798 0.93 BACE1 (0.42) BACE1BMP1MMP2MMP13KMT2A
SCHEMBL5634147 0.92 BACE1 (0.41) BACE1BMP1MMP2MMP13KMT2A
SCHEMBL6261536 0.92 BMP1 (0.45) BACE1BMP1KMT2ALMNAMEN1
SCHEMBL5632828 0.89 BMP1 (0.43) BACE1BMP1MMP2MMP13LMNA
SCHEMBL6260340 0.88 BMP1 (0.48) BACE1BMP1MMP13LMNAALDH1A1
SCHEMBL6260176 0.87 BMP1 (0.39) BACE1BMP1MMP2MMP13LMNA
SCHEMBL5173543 0.87 BACE1 (0.43) BACE1BMP1MMP2MMP13LMNA
SCHEMBL5633562 0.82 MMP3 (0.38) BACE1MMP2MMP13KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 — — US 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 (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-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP BACE1 54/4885BMP1 2539/4885MMP2 271/4885

“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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