SCHEMBL5863374

SCHEMBL5863374

CC(C(=O)O)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
HPGD P15428 1/20 0.44
MMP1 P03956 1/20 0.44
MMP7 P09237 1/20 0.44
MMP8 P22894 1/20 0.44
CA2 P00918 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL875156 0.86 FFAR1 (0.56) MMP12MMP13
SCHEMBL6558824 0.83 HSD17B10 (0.49) KMT2AMEN1ALDH1A1TSHRMMP13
SCHEMBL3249841 0.81 CA2 (0.48) KMT2AMEN1ALDH1A1TSHRCA2
SCHEMBL4891856 0.76 CA2 (0.49) KMT2AMEN1ALDH1A1TSHRMMP12
SCHEMBL5864392 0.76 CA2 (0.49) KMT2AMEN1ALDH1A1TSHRMMP12
SCHEMBL4891863 0.76 CA2 (0.49) KMT2AMEN1ALDH1A1TSHRMMP12
SCHEMBL6864064 0.76 PPARG (0.40) TSHRMMP12MMP13HPGDCYP1A2
SCHEMBL4621599 0.75 MMP8 (0.51) KMT2AMEN1ALDH1A1TSHRMMP12
SCHEMBL4619221 0.75 MMP8 (0.51) KMT2AMEN1ALDH1A1TSHRMMP12
SCHEMBL28839365 0.75 HPGD (0.44) KMT2AMEN1ALDH1A1TSHRMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457409-A Chloroprene rubber composition, sulfide of the chloroprene rubber composition, and vulcanized molded article of the chloroprene rubber composition 电化株式会社 2023-07-18 CN disclosed
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 KMT2A 328/4885MEN1 4621/4885ALDH1A1 2926/4885
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 KMT2A 746/4885MEN1 4502/4885ALDH1A1 3190/4885

“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.