SCHEMBL718201

SCHEMBL718201

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CPA3 P15088 1/20 0.36
FOLH1 Q04609 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RIPK1 Q13546 2/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL4510553 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2176148 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4221112 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL464737 0.89 MAOB (0.47) L3MBTL1PTGS1
SCHEMBL970613 0.87 TAS2R14 (0.37) KMT2AALDH1A1HTTNPC1RAB9A
SCHEMBL5391773 0.86 NAPRT (0.43) KMT2AALDH1A1LMNAHTTCYP1A2
SCHEMBL5391766 0.86 NAPRT (0.43) KMT2AALDH1A1LMNAHTTCYP1A2
SCHEMBL5221314 0.83 MME (0.39) PTGS1
SCHEMBL5221308 0.83 MME (0.39) PTGS1
SCHEMBL4891373 0.83 BACE1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013011485-A1 PROCESS FOR THE PREPARATION OF SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives CONCERT PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-20110224443-A1 PREPARATION OF FOSAMPRENAVIR CALCIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2011-09-15 US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20060052615-A1 Phenylcarboxamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2006-03-09 US disclosed
EP-1562897-A1 PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2005-08-17 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed
US-20040175782-A1 Biotransformation of compounds using non-prokaryotic microalgae TETHYS RESEARCH LLC 2004-09-09 US disclosed
WO-2004043916-A1 PHENYLCARBOXAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2004-05-27 WO disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 US 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 (10 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MEN1 4380/4885KMT2A 860/4885ALDH1A1 1841/4885
US-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 MEN1 2754/4885KMT2A 2273/4885ALDH1A1 1209/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MEN1 4380/4885KMT2A 860/4885ALDH1A1 1841/4885
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP MEN1 3013/4885KMT2A 3113/4885ALDH1A1 2087/4885
US-20060052615-A1 Phenylcarboxamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 MEN1 3655/4885KMT2A 3010/4885ALDH1A1 1594/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 MEN1 3688/4885KMT2A 1407/4885ALDH1A1 756/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MEN1 4515/4885KMT2A 4151/4885ALDH1A1 2920/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP MEN1 4738/4885KMT2A 3671/4885ALDH1A1 2558/4885
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives HTRA1, PRSS8, PRSS1 MEN1 3920/4885KMT2A 662/4885ALDH1A1 824/4885
US-20110224443-A1 PREPARATION OF FOSAMPRENAVIR CALCIUM ORAI1, CACNA1I, FOS MEN1 845/4885KMT2A 3315/4885ALDH1A1 3907/4885

“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.