SCHEMBL7133115

SCHEMBL7133115

CC(C)CN(C(O)C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.46
AAK1 Q2M2I8 6/20 0.41
CYP3A4 P08684 4/20 0.40
CTRB1 P17538 2/20 0.39
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
CA5A P35218 1/20 0.37
NOS1 P29475 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CA1 P00915 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
SCHEMBL4975788 0.83 SPPL2A (0.69) SPPL2ACYP3A4
SCHEMBL4975791 0.74 SPPL2A (0.39) SPPL2AAAK1CA5AHDAC3HDAC4
SCHEMBL5031175 0.73 SPPL2A (0.37) SPPL2AAAK1CA5AHDAC3HDAC4
SCHEMBL14189504 0.72 SPPL2A (0.65) SPPL2ACYP3A4
SCHEMBL4972707 0.72 SPPL2A (0.66) SPPL2ACYP3A4
SCHEMBL829992 0.70 SPPL2A (0.49) SPPL2ACYP3A4
SCHEMBL4973385 0.70 SPPL2A (0.42) SPPL2ACYP3A4
SCHEMBL14113272 0.69 SPPL2A (0.73) SPPL2ACYP3A4
SCHEMBL4973390 0.68 SPPL2A (0.35) SPPL2A
SCHEMBL13839256 0.68 SPPL2A (0.69) SPPL2ACYP3A4

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-6673822-B2 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-06 US disclosed
US-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. 2003-07-10 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-20030130202-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 333/4885AAK1 3102/4885CYP3A4 1731/4885

“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.