Sugi Predict

Sugi Predict / Compounds / SCHEMBL3029709

SCHEMBL3029709

SCHEMBL3029709

O=C(N[C@@H](Cc1ccccc1)C(O)CCl)O[C@H]1CCOC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CTSD P07339 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP3A5 P20815 1/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ TBXAS1 P24557 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ CTSL P07711 1/20 0.52
▸ ABCB1 P08183 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ KCND3 Q9UK17 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
SCHEMBL1601587 0.89 MLNR (0.63) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL1601584 0.89 MLNR (0.63) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL1601582 0.89 MLNR (0.63) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL7392373 0.87 MLNR (0.61) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL13915948 0.87 MLNR (0.61) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL21207977 0.87 MLNR (0.62) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4875037 0.86 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4875033 0.86 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL8846180 0.85 MLNR (0.59) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL8846188 0.85 MLNR (0.59) MLNRABCB11LMNACTSDCYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE TUNG ROGER D 2010-08-19 — — US disclosed
US-7608632-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-27 — — US disclosed
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease TUNG ROGER D 2008-11-27 — — US disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 — — US disclosed
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-24 — — US disclosed
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US disclosed
US-6720335-B2 VIRICIDES VERTEX PHARMACEUTICALS INCORPORATED 2004-04-13 — — US disclosed
EP-0885887-B1 Sulfonamide inhibitors of HIV-Aspartyl protease VERTEX PHARMA (US) 2003-05-28 — — EP disclosed
US-20030069222-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. 2003-04-10 — — US disclosed
US-20030064977-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. 2003-04-03 — — US disclosed
US-6372778-B1 AMINE HYDROXYALKYL SULFONAMIDE AS ENZYME INHIBITORS VERTEX PHARMACEUTICALS, INCORPORATED 2002-04-16 — — US disclosed
US-6004957-A VIRICIDES FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-12-21 — — US disclosed
US-5977137-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-11-02 — — US disclosed
EP-0659181-B1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMA (US) 1999-04-07 — — EP disclosed
US-5856353-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-01-05 — — US disclosed
EP-0885887-A2 Sulfonamide inhibitors of HIV-Aspartyl protease Vertex Pharmaceuticals Incorporated (US) 1998-12-23 — — EP disclosed
US-5783701-A ANTI-HIV VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-07-21 — — US disclosed
US-5723490-A THF-containing sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-03-03 — — US disclosed
US-5585397-A VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-12-17 — — US disclosed
WO-1996033184-A1 THF-CONTAINING SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1996-10-24 — — WO 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 (6 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-20030069222-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885
US-20030064977-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4174/4885ABCB11 2119/4885LMNA 3868/4885

“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.