SCHEMBL5928232

SCHEMBL5928232

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.46
CTSD P07339 4/20 0.44
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 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

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
SCHEMBL4972718 0.90 SPPL2A (0.50) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189475 0.90 SPPL2A (0.50) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL5928183 0.89 CTSD (0.50) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189517 0.89 SPPL2A (0.47) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL4973117 0.89 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189499 0.89 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7518698 0.88 SPPL2A (0.46) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL5914806 0.88 SPPL2A (0.46) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14189518 0.88 SPPL2A (0.48) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL14614321 0.87 SPPL2A (0.45) SPPL2ACTSDMLNRABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098202-B2 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-29 US disclosed
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 US disclosed
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2004-12-23 US disclosed
US-6730669-B2 PROPHYLACTICALLY PREVENTING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, AND TREATMENT OF A RETROVIRAL INFECTION G. D. SEARLE & CO. 2004-05-04 US disclosed
US-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. 2003-11-20 US disclosed
EP-0813542-B1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-10-16 EP disclosed
US-6458785-B1 AIDS THERAPY G. D. SEARLE 2002-10-01 US disclosed
US-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors GETMAN DANIEL P (US) 2002-08-15 US disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
US-6140505-A REACTING A BENZO FUSED HETEROCYCLIC COMPOUND WITH AN SO3 COMPLEX IN THE PRESENCE OF A WATER IMMISCIBLE, NON-REACTIVE SOLVENT, AT A TEMPERATURE OF FROM ABOUT 0 TO ABOUT 75 DEGREES C., COOLING AND THEN ADDING OXALYL HALIDE. G. D. SEARLE & CO. (US) 2000-10-31 US disclosed
US-5968970-A TREATMENT OF HIV G. D. SEARLE & COMPANY (US) 1999-10-19 US disclosed
US-5965601-A NOVEL COMPOUNDS FOR INHIBITING REPLICATION OF A RETROVIRUS; TREATING HIV G. D. SEARLE & CO. (US) 1999-10-12 US disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO 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 (4 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-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885CTSD 61/4885MLNR 2955/4885
US-20020111368-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885CTSD 61/4885MLNR 2955/4885
US-20040260095-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885CTSD 61/4885MLNR 2955/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885CTSD 61/4885MLNR 2955/4885

“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.