SCHEMBL7518698

SCHEMBL7518698

CC(C)CN(C[C@@H](O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCCC1)C(C)(C)C)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.46
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CTSD P07339 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
CNR1 P21554 1/20 0.43
TBXAS1 P24557 1/20 0.43
ADRA1A P35348 1/20 0.43
MEP1B Q16820 1/20 0.42
ABCB1 P08183 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
SCHEMBL5914806 1.00 SPPL2A (0.46) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL6102011 0.91 SPPL2A (0.45) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL8368997 0.89 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4971126 0.89 SPPL2A (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189510 0.89 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL7164090 0.89 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL6101693 0.89 MLNR (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189509 0.89 SPPL2A (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14189497 0.89 SPPL2A (0.48) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5928232 0.88 SPPL2A (0.46) SPPL2AMLNRABCB11LMNACTSD

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-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors GETMAN DANIEL P (US) 2002-08-15 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-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885MLNR 2955/4885ABCB11 3167/4885

“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.