SCHEMBL2059435

SCHEMBL2059435

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
KLK5 Q9Y337 3/20 0.53
APP P05067 5/20 0.51
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
ACE P12821 1/20 0.48
SYK P43405 1/20 0.46
CYP3A4 P08684 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
SCHEMBL8910000 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL8909987 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL7347831 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL22305235 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL31506428 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL5541452 1.00 ATM (0.61) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL7207478 0.98 ATM (0.59) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL8716603 0.98 ATM (0.59) ATMCTSSCTSKCTSLCTSB
Malonic Acid SCHEMBL8710814 0.96 ATM (0.58) ATMCTSSCTSKCTSLCTSB
Oxalic Acid SCHEMBL7211894 0.96 ATM (0.58) ATMCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454168-B Synthesis method of ritonavir intermediate BDH 南通森萱药业有限公司 2022-04-05 CN claimed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
EP-0724563-B1 Intermediates for the preparation of a substituted 2,5-diamino-3-hydroxyhexane. ABBOTT LAB (US) 1999-09-01 EP claimed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-5786500-A Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane ABBOTT LABORATORIES (US) 1998-07-28 US claimed
US-5654466-A Process for the preparation of a disubstituted 2,5-diamino-3-hydroxyhexane ABBOTT LABORATORIES (US) 1997-08-05 US claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP claimed
EP-0724563-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1996-08-07 EP claimed
WO-1995011224-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1995-04-27 WO claimed
CN-222983869-U Filtering device for ritonavir intermediate BDH production 南通森萱药业有限公司 2025-06-17 CN disclosed
CN-219647488-U Reaction kettle for ritonavir intermediate BDH (BDH) Grignard reaction 南通森萱药业有限公司 2023-09-08 CN disclosed
CN-115368498-A Preparation method and application of eutectic solvent type molecularly imprinted polymer based on magnetic metal organic framework material carrier 河南师范大学 2022-11-22 CN disclosed
CN-111454168-B Synthesis method of ritonavir intermediate BDH 南通森萱药业有限公司 2022-04-05 CN disclosed
US-5484801-A Pharmaceutical composition for inhibiting HIV protease ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
WO-1995011224-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1995-04-27 WO disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed