SCHEMBL5024889

SCHEMBL5024889

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(NC(=O)CN(C)C)C(=O)CC(C)(C)C)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 4/20 0.43
CYP3A4 P08684 1/20 0.39
MMP2 P08253 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
JAK3 P52333 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5024868 0.94 SPPL2A (0.44) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL4973334 0.92 SPPL2A (0.42) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL4974748 0.91 SPPL2A (0.41) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL5027267 0.90 SPPL2A (0.42) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL4972760 0.89 SPPL2A (0.40) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL5928343 0.89 SPPL2A (0.40) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL5026582 0.89 SPPL2A (0.41) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL5026567 0.89 SPPL2A (0.41) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL4970670 0.89 SPPL2A (0.50) SPPL2ACYP3A4MMP2MMP13MMP14
SCHEMBL4974829 0.88 MEN1 (0.42) SPPL2ACYP3A4MMP2MMP13MMP14

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 14 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
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP claimed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-10-13 US disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 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
EP-1076062-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2001-02-14 EP 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
US-6143788-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 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 (2 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-20050227926-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885CYP3A4 2307/4885MMP2 635/4885
US-20030204097-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 SPPL2A 654/4885CYP3A4 2307/4885MMP2 635/4885

“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.