SCHEMBL5863378

SCHEMBL5863378

O=C(O)CCS(=O)(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
APEX1 P27695 1/20 0.58
MMP12 P39900 3/20 0.57
MMP13 P45452 3/20 0.57
FFAR1 O14842 4/20 0.57
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
HDAC4 P56524 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL1007826 0.86 MAPT (0.66) KEAP1MMP12MMP13FFAR1HDAC3
SCHEMBL302785 0.85 CA2 (0.69) KEAP1MMP12MMP13SMN1; SMN2CA2
SCHEMBL8532428 0.83 KEAP1 (0.50) KEAP1APEX1MMP12MMP13FFAR1
SCHEMBL1201074 0.82 KMT2A (0.71) KEAP1APEX1MMP13FFAR1HDAC3
SCHEMBL28184271 0.82 MMP12 (0.80) KEAP1MMP12MMP13FFAR1HDAC3
SCHEMBL9180265 0.80 CA2 (0.58) KEAP1MMP12MMP13FFAR1HDAC3
SCHEMBL29250508 0.78 CA2 (0.60) MMP12MMP13CA2MAPTALDH1A1
SCHEMBL1377040 0.77 CPA3 (0.62) KEAP1MMP12MMP13FFAR1HDAC3
SCHEMBL14495267 0.77 CA2 (0.77) KEAP1MMP12MMP13CA2MAPT
Phenyl Propionic Acid SCHEMBL13618844 0.77 KEAP1 (1.00) KEAP1FFAR1HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
US-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2004-12-30 US disclosed
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-07-29 US disclosed
EP-1095022-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2001-05-02 EP disclosed
WO-2000002862-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-20 WO disclosed
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US disclosed
EP-0666843-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACIDS USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
EP-0656888-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP 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-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PRSS1, TMPRSS15 KEAP1 3940/4885APEX1 3435/4885MMP12 69/4885
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 KEAP1 3962/4885APEX1 2919/4885MMP12 99/4885

“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.