SCHEMBL5031175

SCHEMBL5031175

CC(C)CN(c1cccc(C[C@@H](C)CNC(=O)OCc2ccccc2)c1O)S(=O)(=O)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.37
KCNA5 P22460 2/20 0.35
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
CA1 P00915 2/20 0.34
CACNA1H O95180 2/20 0.33
CA5A P35218 1/20 0.33
AAK1 Q2M2I8 4/20 0.33
BCL2L1 Q07817 2/20 0.32
MCL1 Q07820 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL5027206 0.90 ACR (0.44) SPPL2AMMP2MMP3MMP9MMP14
SCHEMBL5026552 0.83 RORC (0.36) BCL2L1MCL1KMT2A
SCHEMBL7609854 0.77 RORC (0.39) BCL2L1MCL1KMT2A
SCHEMBL6869361 0.77 ACR (0.44) KMT2A
SCHEMBL4975791 0.74 SPPL2A (0.39) SPPL2AKCNA5MMP2MMP3MMP9
SCHEMBL4975788 0.73 SPPL2A (0.69) SPPL2A
SCHEMBL7133115 0.73 SPPL2A (0.46) SPPL2ACA1CA5AAAK1HDAC3
SCHEMBL7449299 0.70 CA1 (0.43) MMP2MMP3MMP9MMP14MMP1
SCHEMBL5029148 0.69 CYP3A4 (0.38) SPPL2AMMP2MMP14MMP13
SCHEMBL6101123 0.69 CYP3A4 (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-08-24 US disclosed
US-6861539-B1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-03-01 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-1258491-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-11-20 EP disclosed
EP-0813542-B1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-10-16 EP disclosed
EP-1188766-A1 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. Searle & Co. (US) 2002-03-20 EP disclosed
US-6310080-B1 TREATING RETROVIRAL INFECTIONS SUCH AS AIDS G. D. SEARLE & CO. 2001-10-30 US disclosed
EP-0813519-B1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2001-05-09 EP disclosed
US-6169085-B1 A VIRICIDE FOR PREVENTING AND TREATING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, INHIBITING REPLICATION OF A RETROVIRUS AND TREATING AIDS G. D. SEARLE & COMPANY 2001-01-02 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-6063795-A ENZYME INHIBITORS G.D. SEARLE & COMPANY (US) 2000-05-16 US disclosed
US-5972989-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1999-10-26 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

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-20030216435-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885KCNA5 4592/4885MMP2 696/4885
US-20060189611-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP SPPL2A 268/4885KCNA5 4592/4885MMP2 696/4885

“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.