SCHEMBL14113284

SCHEMBL14113284

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)CS(=O)(=O)N1CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 2/20 0.46
▸ SPPL2A Q8TCT8 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MLNR O43193 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL14367269 0.94 SPPL2A (0.46) BMP1SPPL2AABCB1LMNAMLNR
SCHEMBL14113277 0.94 SPPL2A (0.49) BMP1SPPL2AABCB1LMNAMLNR
SCHEMBL14367268 0.91 ABCB1 (0.44) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL14367270 0.89 SPPL2A (0.49) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL14367267 0.87 SPPL2A (0.47) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL6260340 0.85 BMP1 (0.48) BMP1LMNA
SCHEMBL14338852 0.83 SPPL2A (0.48) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL5403915 0.83 SPPL2A (0.53) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL14338882 0.82 SPPL2A (0.51) SPPL2AABCB1LMNAMLNRABCB11
SCHEMBL12156760 0.81 SPPL2A (0.64) SPPL2AABCB1LMNAMLNRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 — — US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed

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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP BMP1 3507/4885SPPL2A 636/4885ABCB1 270/4885

“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.

Send feedback