Sugi Predict

Sugi Predict / Compounds / SCHEMBL3036334

SCHEMBL3036334

SCHEMBL3036334

COc1ccc(Cc2cc([N+](=O)[O-])ccc2OC(=O)Oc2ccc([N+](=O)[O-])cc2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 2/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP19A1 P11511 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL3036335 0.91 MAPT (0.52) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3033525 0.87 MEN1 (0.50) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL48067 0.84 CYP19A1 (0.49) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL27578546 0.81 MAPT (0.44) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL3022576 0.80 GAA (0.55) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL28956715 0.80 NPSR1 (0.54) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL5492543 0.80 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6199119 0.79 NPSR1 (0.55) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL14957199 0.79 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL3033527 0.79 MEN1 (0.49) MAPTMEN1KMT2ACRHBPCRHR2

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 20 patents. 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-6392046-B1 AIDS THERAPY VERTEX PHARMACEUTICALS, INC. 2002-05-21 — — 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
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-5585397-A VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-12-17 — — US disclosed
EP-0659181-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-06-28 — — EP disclosed
WO-1994005639-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-17 — — 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 MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE SPINT2, PRSS1, DNPEP MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885
US-20030064977-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MAPT 2029/4885MEN1 4499/4885KMT2A 772/4885

“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.