SCHEMBL6262004

SCHEMBL6262004

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CS(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP3A5 P20815 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ SPPL2A Q8TCT8 1/20 0.49
▸ ABCB1 P08183 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ KCNQ1 P51787 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ KCND3 Q9UK17 1/20 0.47

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
SCHEMBL14113252 0.93 — —
SCHEMBL4904211 0.93 — —
SCHEMBL7248370 0.93 — —
SCHEMBL14367270 0.88 SPPL2A (0.49) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14113257 0.86 — —
SCHEMBL9082056 0.85 SPPL2A (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14113247 0.85 MLNR (0.53) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL5172203 0.85 SPPL2A (0.54) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL5172988 0.84 SPPL2A (0.54) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14338882 0.83 SPPL2A (0.51) MLNRABCB11LMNACTSDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 MLNR 3973/4885ABCB11 607/4885LMNA 3236/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP MLNR 3973/4885ABCB11 607/4885LMNA 3236/4885

“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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