SCHEMBL5632828

SCHEMBL5632828

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N1CCN(Cc2ccncc2)CC1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 3/20 0.43
▸ LMNA P02545 5/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ RECQL P46063 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
SCHEMBL6261536 0.97 BMP1 (0.45) BMP1LMNABACE1ALDH1A1TSHR
SCHEMBL6260340 0.94 BMP1 (0.48) BMP1LMNABACE1ALDH1A1SMN1; SMN2
SCHEMBL6260176 0.92 BMP1 (0.39) BMP1LMNABACE1ALDH1A1TSHR
SCHEMBL5633798 0.90 BACE1 (0.42) BMP1BACE1SMN1; SMN2MMP2MMP13
SCHEMBL5633526 0.90 BACE1 (0.43) BMP1BACE1ALDH1A1SMN1; SMN2MMP2
SCHEMBL5634518 0.89 BACE1 (0.42) BMP1LMNABACE1ALDH1A1TSHR
SCHEMBL7243370 0.89 BACE1 (0.42) BMP1LMNABACE1ALDH1A1SMN1; SMN2
SCHEMBL5634147 0.88 BACE1 (0.41) BMP1BACE1SMN1; SMN2MMP2MMP13
SCHEMBL14367269 0.85 SPPL2A (0.46) BMP1LMNA
SCHEMBL5173543 0.83 BACE1 (0.43) BMP1LMNABACE1ALDH1A1HTT

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
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

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-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP BMP1 3507/4885LMNA 3038/4885BACE1 63/4885

“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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