SCHEMBL5863381

SCHEMBL5863381

CC(c1ccccc1)S(=O)(=O)CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
APEX1 P27695 2/20 0.42
FFAR1 O14842 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
APAF1 O14727 1/20 0.41
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL16311051 0.83 CA12 (0.58) CYP2C19CA12CA7CA9CA14
SCHEMBL12305030 0.77 CYP2C19 (0.44) CYP2C19KMT2AALDH1A1MEN1MAPT
SCHEMBL28291990 0.76 CA1 (0.47) CYP2C19CA9KMT2AALDH1A1MEN1
SCHEMBL4891867 0.75 APAF1 (0.53) CYP2C19CA12CA7CA9CA14
SCHEMBL3207687 0.75 CA12 (0.49) CYP2C19CA12CA7CA9CA14
SCHEMBL11445835 0.72 CYP2C19 (0.54) CYP2C19FFAR1ALDH1A1MAPT
SCHEMBL29323684 0.72 THRB (0.49) CYP2C19CA12CA7CA9CA14
SCHEMBL1200575 0.72 APEX1 (0.52) APEX1KMT2AALDH1A1HTTNPSR1
SCHEMBL13037424 0.71 BRD4 (0.42) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL4170789 0.70 MMP12 (0.46) CYP2C19CA12CA7CA9CA14

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 9 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-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 CYP2C19 3580/4885CA12 2552/4885CA7 2546/4885
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 CYP2C19 3273/4885CA12 3262/4885CA7 2861/4885

“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.