Sugi Predict

Sugi Predict / Compounds / SCHEMBL691498

SCHEMBL691498

SCHEMBL691498

CC(C)CNCC(O)C(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
SCHEMBL12103325 1.00 KLK5 (0.61) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL1104912 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795572-B1 DARUNAVIR PROPIONATE SOLVATE LAURUS LABS LTD (IN) 2023-11-15 — — EP disclosed
EP-3795572-A1 DARUNAVIR PROPIONATE SOLVATE Laurus Labs Limited (IN) 2021-03-24 — — EP disclosed
CN-105085323-B Novel synthesis process of Darunavir intermediate 重庆圣华曦药业股份有限公司 2017-02-15 — — CN disclosed
CN-105085323-A Novel synthesis process of Darunavir intermediate CHONGQING SHENGHUAXI PHARMA CO 2015-11-25 — — CN disclosed
EP-1960404-B1 SUBSTITUTED AMINOPHENYLSULFONAMIDE COMPOUNDS AS HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 — — EP disclosed
EP-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 — — EP disclosed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 — — US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 — — US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 — — US disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 — — EP disclosed
US-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate JANSSEN SCIENCES IRELAND UC (IE) 2007-03-15 — — US disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 — — EP disclosed
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2006-11-16 — — US disclosed
US-20050267074-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-12-01 — — US disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 — — WO disclosed
EP-1066276-B1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LTD (GB) 2003-06-11 — — EP disclosed
US-6573388-B1 Synthetic intermediates for the synthesis of HIV protease inhibitors and oligopeptide mimetics SAMCHULLY PHARM. CO., LTD. (KR) 2003-06-03 — — US disclosed
US-6281367-B1 REACTING P-NITROSULFONYL GROUP WITH AN AMINOALCOHOL GLAXO WELLCOME INC. 2001-08-28 — — US disclosed
EP-1066276-A1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-10 — — EP disclosed
WO-1999048885-A1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-09-30 — — 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-20050267074-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME KLK5 358/4885ATM 4709/4885PSEN1 377/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR KLK5 1073/4885ATM 4734/4885PSEN1 2820/4885
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME KLK5 358/4885ATM 4709/4885PSEN1 377/4885
US-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate HPD, HTR3C, HAAO KLK5 1843/4885ATM 4391/4885PSEN1 508/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR KLK5 1073/4885ATM 4734/4885PSEN1 2820/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR KLK5 1073/4885ATM 4734/4885PSEN1 2820/4885

“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.