SCHEMBL2576497

SCHEMBL2576497

CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(F)cc1)N(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.51
SPPL2A Q8TCT8 2/20 0.49
RORC P51449 5/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 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
SCHEMBL6708204 0.99 SPPL2A (0.50) TAS2R14SPPL2ARORCCNR1CNR2
SCHEMBL7256999 0.94 TAS2R14 (0.53) TAS2R14
SCHEMBL6714647 0.94 TAS2R14 (0.53) TAS2R14
SCHEMBL2582413 0.92 SPPL2A (0.52) TAS2R14SPPL2ARORCCNR1
SCHEMBL2582931 0.91 TAS2R14 (0.47) TAS2R14SPPL2ARORCCNR1CNR2
SCHEMBL6764842 0.90 SPPL2A (0.53) TAS2R14SPPL2ARORCCNR1
SCHEMBL6709280 0.89 SPPL2A (0.55) TAS2R14SPPL2ARORCCNR1CNR2
SCHEMBL5928397 0.87 PTGES (0.53) TAS2R14
SCHEMBL2578425 0.87 PTGES (0.53) TAS2R14
SCHEMBL2582086 0.86 SPPL2A (0.48) TAS2R14SPPL2ARORCKMT2A

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 6 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-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 US claimed
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-03-04 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
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed

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-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP TAS2R14 4129/4885SPPL2A 144/4885RORC 3701/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP TAS2R14 4157/4885SPPL2A 180/4885RORC 3583/4885

“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.