SCHEMBL5355362

SCHEMBL5355362

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.82
KLK7 P49862 1/20 0.69
CTSL P07711 2/20 0.68
CTSS P25774 1/20 0.68
CTSK P43235 1/20 0.68
ACE P12821 1/20 0.67
NMBR P28336 2/20 0.62
MAPT P10636 3/20 0.62
TP53 P04637 2/20 0.62
LNPEP Q9UIQ6 1/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
KLK5 Q9Y337 1/20 0.61
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL16464197 1.00 TACR1 (0.82) TACR1KLK7CTSLCTSSCTSK
SCHEMBL8697113 1.00 TACR1 (0.82) TACR1KLK7CTSLCTSSCTSK
SCHEMBL29397912 1.00 TACR1 (0.82) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27885257 0.96 TACR1 (0.77) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27885259 0.96 TACR1 (0.77) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27951091 0.94 TACR1 (0.74) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27951092 0.94 TACR1 (0.74) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27902191 0.94 TACR1 (0.73) TACR1KLK7CTSLCTSSCTSK
SCHEMBL27902193 0.94 TACR1 (0.73) TACR1KLK7CTSLCTSSCTSK
SCHEMBL16464707 0.93 TACR1 (0.71) TACR1KLK7CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593559-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1994-04-27 EP claimed
WO-1993001169-A2 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-01-21 WO claimed
EP-3917576-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-12-08 EP disclosed
CN-113423430-A Amanitoxin conjugates containing branched linkers 杭州多禧生物科技有限公司 2021-09-21 CN disclosed
WO-2020155017-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-08-06 WO disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
CN-104837858-A Ketoamide immunoproteasome inhibitors HOFFMANN LA ROCHE 2015-08-12 CN disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US disclosed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP disclosed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP disclosed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO disclosed
US-6329394-B1 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. GLAXO GROUP LIMITED (GB) 2001-12-11 US disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
US-5547964-A ANTIEMETIC DURING DRUG THERAPY GLAXO GROUP LIMITED (GB) 1996-08-20 US disclosed
US-5472978-A Tachykinin antagonists for treating pain, migraine and antiinflammatory agents MERCK SHARP & DOHME LTD. (GB) 1995-12-05 US disclosed
EP-0615751-A1 Use of tachykinin antagonists in the treatment of emesis GLAXO GROUP LIMITED (GB) 1994-09-21 EP disclosed
EP-0593559-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1994-04-27 EP disclosed
WO-1993001169-A2 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-01-21 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 (1 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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 TACR1 3927/4885KLK7 45/4885CTSL 554/4885

“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.