SCHEMBL4042695

SCHEMBL4042695

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CTSK P43235 2/20 0.41
CXCR3 P49682 1/20 0.41
GAA P10253 1/20 0.40
SLC18A3 Q16572 2/20 0.40
GPR132 Q9UNW8 3/20 0.39
PTAFR P25105 4/20 0.38
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4039411 0.93 CTSK (0.43) CTSKGPR132MMP13
SCHEMBL4038694 0.92 CTSK (0.39) CHRNB2CHRNA7CHRNA4CTSKCXCR3
SCHEMBL4042580 0.92 CTSK (0.49) CHRNB2CHRNA7CHRNA4CTSKCXCR3
SCHEMBL4040649 0.92 CTSK (0.42) CTSKGPR132LMNATSHR
SCHEMBL4040275 0.92 CTSK (0.40) CTSKGPR132LMNAMMP1MMP3
SCHEMBL4045831 0.91 CTSK (0.51) CTSKGAAGPR132LMNAKMT2A
SCHEMBL4041827 0.91 CTSK (0.43) CTSKGPR132LMNA
SCHEMBL4042752 0.90 CTSK (0.52) CHRNB2CHRNA7CHRNA4CTSKGPR132
SCHEMBL4038224 0.90 CTSK (0.44) CTSKGPR132
SCHEMBL4042626 0.90 CTSK (0.40) CTSKGPR132LMNATSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 US claimed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 US disclosed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 US disclosed
US-7547501-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-06-16 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
US-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CHRNB2 3423/4885CHRNA7 1466/4885CHRNA4 3064/4885

“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.