Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104912

SCHEMBL1104912

SCHEMBL1104912

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.61
▸ ATM Q13315 1/20 0.57
▸ PSEN1 P49768 3/20 0.56
▸ PSEN2 P49810 3/20 0.56
▸ APH1B Q8WW43 3/20 0.56
▸ NCSTN Q92542 3/20 0.56
▸ APH1A Q96BI3 3/20 0.56
▸ PSENEN Q9NZ42 3/20 0.56
▸ APP P05067 1/20 0.55
▸ BCHE P06276 1/20 0.53
▸ BACE1 P56817 1/20 0.52
▸ REN P00797 4/20 0.50
▸ CTSS P25774 1/20 0.49

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
SCHEMBL19261937 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL691498 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL12103325 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1236129 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL8222457 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7309908 0.95 KLK5 (0.65) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7303561 0.92 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7309398 0.92 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL5945448 0.91 REN (0.54) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL13630987 0.91 REN (0.54) KLK5ATMPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9249622-A — — None — — JP disclosed
US-20260014174-A1 DUAL INHIBITORS FOR HDAC3 AND HIV-1 PR PURDUE RESEARCH FOUNDATION (US) 2026-01-15 — — US disclosed
CN-118530145-A Synthesis method of darunavir key intermediate 江苏八巨药业有限公司 2024-08-23 — — CN disclosed
CN-117304129-A Azaalkanone derivative or pharmaceutically acceptable salt thereof, preparation method and application thereof, and pharmaceutical composition 中国医学科学院医药生物技术研究所 2023-12-29 — — CN disclosed
US-10544157-B2 Process for preparation of Darunavir LAURUS LABS LIMITED (IN) 2020-01-28 — — US disclosed
US-20190144461-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2019-05-16 — — US disclosed
US-20180162870-A1 Process for the Preparation of Darunavir AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-06-14 — — US disclosed
US-20180162870-A1 Process for the Preparation of Darunavir AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2018-06-14 — — US disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 — — US disclosed
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-16 — — US disclosed
JP-H09249622-A PRODUCTION OF OPTICALLY ACTIVE 1.3-DI(N-SUBSTITUTED AMINO)-4-PHENYLBUTAN-2-OL DERIVATIVE TAKASAGO INTERNATL CORP 1997-09-22 — — JP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 — — US disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 — — WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 — — EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 — — WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 — — 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 (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-20180162870-A1 Process for the Preparation of Darunavir SAMHD1, IGLV6-57, UGT2B7 KLK5 812/4885ATM 3478/4885PSEN1 3751/4885
US-20190144461-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 KLK5 240/4885ATM 4408/4885PSEN1 3308/4885
US-10544157-B2 Process for preparation of Darunavir SAMHD1, CYP3A5, DARS1 KLK5 240/4885ATM 4408/4885PSEN1 3308/4885
US-20260014174-A1 DUAL INHIBITORS FOR HDAC3 AND HIV-1 PR HDAC3, HDAC1, HDAC11 KLK5 1909/4885ATM 2320/4885PSEN1 607/4885
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease PREP, DNPEP, PEPD KLK5 1621/4885ATM 3613/4885PSEN1 1348/4885

“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.