SCHEMBL5026601

SCHEMBL5026601

CC[C@H](C)CC(=O)N(NC(=O)CNCCOC)[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.38
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CTSD P07339 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
CNR1 P21554 1/20 0.36
TBXAS1 P24557 1/20 0.36
ADRA1A P35348 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL4972682 0.95 SPPL2A (0.40) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL4972908 0.94 ALDH1A1 (0.41) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4972307 0.92 SPPL2A (0.39) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL4970629 0.91 SPPL2A (0.39) SPPL2ALMNA
SCHEMBL4974742 0.91 MMP2 (0.39) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL5024921 0.90 ALDH1A1 (0.43) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4972671 0.89 SPPL2A (0.36) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL4973879 0.88 SPPL2A (0.40) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL5029160 0.88 LMNA (0.39) SPPL2AMMP2MMP13MLNRABCB11
SCHEMBL4972792 0.88 LMNA (0.39) SPPL2AMMP2MMP13MLNRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-30 US claimed
US-6316496-B1 FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) G. D. SEARLE & CO. 2001-11-13 US claimed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-6683210-B2 HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS, HUMAN IMMUNODEFICIENCY VIRUS, AND LYMPHADENOPATHY ASSOCIATED VIRUS TREATMENT G. D. SEARLE & CO. 2004-01-27 US disclosed
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-30 US disclosed
US-6388132-B1 AIDS THERAPY G. D. SEARLE & CO. 2002-05-14 US disclosed
US-6316496-B1 FOR THERAPY OF RETROVIRAL INFECTION; PROPHYLAXIS OF REPLICATION OF RETROVIRUS, THERAPY OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) G. D. SEARLE & CO. 2001-11-13 US disclosed
US-6150556-A INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) PROTEASE; PROPHYLAXIS AND THERAPY OF RETROVIRUS INFECTIONS G. D. DEARLE & CO. (US) 2000-11-21 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-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885MMP2 635/4885MMP13 1049/4885

“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.