SCHEMBL1573513

SCHEMBL1573513

COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 3/20 0.52
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
AGTR1 P30556 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TACR3 P29371 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.46
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL31633773 1.00 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL1783805 1.00 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL5862217 1.00 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL28859554 0.93 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL4044107 0.91 CTSK (0.49) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL348500 0.88 CTSK (0.54) CTSKCTSSMAPTNPSR1MEN1
SCHEMBL46367 0.88 CTSK (0.54) CTSKCTSSMAPTNPSR1MEN1
SCHEMBL348499 0.88 CTSK (0.54) CTSKCTSSMAPTNPSR1MEN1
SCHEMBL1274264 0.88 TSHR (0.51) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL13929424 0.88 TSHR (0.51) CTSKCTSSMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2014173375-A1 A PROCESS FOR THE SYNTHESIS OF MARAVIROC ZENTIVA, K.S. (CZ) 2014-10-30 WO disclosed
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-7932235-B2 N-{3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-4,4-difluorocyclohexanecarboxamide; with deuterium isotop; chemokine (C-C motif) CCR5 receptor antagonist; antiinflammatory agent, viricide; with other active ingredients; HIV, AIDS, multiple sclerosis CONCERT PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 EP disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
EP-2121676-A1 PREPERATION AND UTILITY OF CCR5 INHIBITORS Auspex Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO disclosed
CN-1331591-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 CN disclosed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS CCR5, CCR8, CCL5 CTSK 2274/4885CTSS 1684/4885MAPT 4653/4885

“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.