Sugi Predict

Sugi Predict / Compounds / SCHEMBL3029779

SCHEMBL3029779

SCHEMBL3029779

COC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ ADAMTS4 O75173 1/20 0.46
▸ ELANE P08246 2/20 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
SCHEMBL4680818 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL3033874 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4675990 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7304462 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7304466 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6445930 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6445922 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAMAPT
Lithium Ion SCHEMBL6445927 0.87 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6841164 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6841163 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 48 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
EP-0997459-B1 Intermediates for preparing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-11-26 — — EP 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
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 — — EP disclosed
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons PHARMACIA & UPJOHN 2004-12-30 — — 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-0659181-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-06-28 — — EP disclosed
EP-0633881-A4 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS. — 1995-02-22 — — EP disclosed
EP-0633881-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS Narhex Limited (HK) 1995-01-18 — — EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 — — WO disclosed
WO-1994005639-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-17 — — WO disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 — — WO disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 — — 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 (5 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-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP NPC1 2415/4885RAB9A 4274/4885SMN1; SMN2 2226/4885
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE SPINT2, PRSS1, DNPEP NPC1 2415/4885RAB9A 4274/4885SMN1; SMN2 2226/4885
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP NPC1 2415/4885RAB9A 4274/4885SMN1; SMN2 2226/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP NPC1 2415/4885RAB9A 4274/4885SMN1; SMN2 2226/4885
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons BACE1, BACE2, PSEN1 NPC1 308/4885RAB9A 1654/4885SMN1; SMN2 1587/4885

“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.