SCHEMBL1783805

SCHEMBL1783805

COC(=O)CC(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
SCHEMBL5862217 1.00 CTSK (0.52) CTSKCTSSMAPTALDH1A1LMNA
SCHEMBL1573513 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP claimed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO claimed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
CN-1830445-B Composition of tropane derivatives having therapy use and polymorph thereof PFIZER 2011-04-20 CN disclosed
EP-2269979-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD Japan Science and Technology Agency (JP) 2011-01-05 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-1809657-A1 CYCLIC NONAPEPTIDE AMIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
CN-1279040-C Tropane derivatives for use in therapy PFIZER LTD (US) 2006-10-11 CN disclosed
CN-1830445-A Tropane derivatives having therapy using, compounds and polymorph thereof PFIZER (US) 2006-09-13 CN disclosed
WO-2006048156-A1 CYCLIC NONAPEPTIDE AMIDES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO disclosed
CN-1680371-A Intermediate for preparing tropane derivative with therapeutic action PFIZER (US) 2005-10-12 CN disclosed
CN-1150192-C Piperidines as CCR5 modulators 2004-05-19 CN disclosed
CN-1437599-A Tropane derivatives for use in therapy PFIZER LTD (US) 2003-08-20 CN disclosed
CN-1331591-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 CN disclosed
CN-1331691-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 CN 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 (2 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI CTSK 1463/4885CTSS 2195/4885MAPT 3161/4885
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.