SCHEMBL2582413

SCHEMBL2582413

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.52
RORC P51449 7/20 0.51
TAS2R14 Q9NYV8 1/20 0.48
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
CNR1 P21554 1/20 0.45
TBXAS1 P24557 1/20 0.45
ADRA1A P35348 1/20 0.45
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
ADAM17 P78536 1/20 0.44

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
SCHEMBL6764842 0.94 SPPL2A (0.53) SPPL2ARORCTAS2R14MLNRABCB11
SCHEMBL6709280 0.93 SPPL2A (0.55) SPPL2ARORCTAS2R14CNR1ADAMTS5
SCHEMBL6708204 0.93 SPPL2A (0.50) SPPL2ARORCTAS2R14CNR1
SCHEMBL2576497 0.92 TAS2R14 (0.51) SPPL2ARORCTAS2R14CNR1
SCHEMBL7959979 0.91 RORC (0.44) SPPL2ARORCTAS2R14
SCHEMBL2576474 0.91 RORC (0.44) SPPL2ARORCTAS2R14
SCHEMBL7959974 0.91 RORC (0.44) SPPL2ARORCTAS2R14
SCHEMBL2578425 0.91 PTGES (0.53) TAS2R14
SCHEMBL5928397 0.91 PTGES (0.53) TAS2R14
SCHEMBL2582086 0.90 SPPL2A (0.48) SPPL2ARORCTAS2R14MMP2MMP13

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-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US claimed
US-6455581-B1 INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-09-24 US claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP claimed
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 180/4885RORC 3583/4885TAS2R14 4157/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 180/4885RORC 3583/4885TAS2R14 4157/4885

“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.