Sugi Predict

Sugi Predict / Compounds / SCHEMBL3033874

SCHEMBL3033874

SCHEMBL3033874

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ADAMTS4 O75173 1/20 0.54
▸ 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
▸ ELANE P08246 2/20 0.48
▸ TYR P14679 1/20 0.46
▸ ECE1 P42892 2/20 0.45
▸ MME P08473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ PTPRA P18433 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
SCHEMBL4675990 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL6445930 0.99 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL6445922 0.99 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL3029779 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL4680818 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL7310548 0.89 RAB9A (0.55) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL7310554 0.89 RAB9A (0.55) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
Lithium Ion SCHEMBL6445927 0.87 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL6841163 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAADAMTS4
SCHEMBL6841164 0.85 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3128335-A — — None — — JP disclosed
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-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 — — US disclosed
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-24 — — US disclosed
EP-1140846-B1 ASPARTIC PROTEASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-04-05 — — EP disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 — — 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
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 — — EP disclosed
WO-1994005639-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-17 — — WO disclosed
EP-0575097-A1 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS ELI LILLY AND COMPANY (US) 1993-12-22 — — EP 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
JP-H03128335-A RETROVIRAL PROTEASE INHIBITOR ABBOTT LAB 1991-05-31 — — JP 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 (3 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-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

“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.