SCHEMBL4041121

SCHEMBL4041121

CC(C)(C)c1ccc(C(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)Cc3ccccn3)CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
CTSK P43235 8/20 0.40
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CTSL P07711 5/20 0.34
CTSS P25774 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4041605 0.89 MAPK14 (0.40) ALDH1A1LMNAPKMCTSKCTSL
SCHEMBL4047319 0.88 CTSK (0.42) ALDH1A1HTTSMN1; SMN2LMNAGLA
SCHEMBL4043068 0.87 HDAC1 (0.36) LMNAPKMCTSKCTSLCTSS
SCHEMBL4046192 0.86 LMNA (0.40) ALDH1A1HTTSMN1; SMN2LMNACTSK
SCHEMBL4044060 0.86 PLA2G1B (0.40) ALDH1A1HTTSMN1; SMN2LMNAGLA
SCHEMBL4047880 0.82 CTSK (0.48) ALDH1A1LMNACTSKPLA2G1BATG4B
SCHEMBL4038260 0.81 CTSK (0.38) ALDH1A1HTTLMNACTSKKMT2A
SCHEMBL4045826 0.80 TSHR (0.35) ALDH1A1CTSKCTSLCTSSTSHR
SCHEMBL4039586 0.80 CTSK (0.65) ALDH1A1HTTSMN1; SMN2LMNAGLA
SCHEMBL4043534 0.80 CTSK (0.39) ALDH1A1HTTLMNACTSKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7556860-B2 Laminate and method of forming the same, insulating film, and semiconductor device JSR CORPORATION (JP) 2009-07-07 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2013184-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS AstraZeneca AB (SE) 2009-01-14 EP disclosed
US-20080246153-A1 ORGANIC SILICA-BASED FILM, METHOD OF FORMING THE SAME, COMPOSITION FOR FORMING INSULATING FILM FOR SEMICONDUCTOR DEVICE, INTERCONNECT STRUCTURE, AND SEMICONDUCTOR DEVICE JSR CORPORATION (JP) 2008-10-09 US disclosed
WO-2007129019-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-7291567-B2 Silica-based film, method of forming the same, composition for forming insulating film for semiconductor device, interconnect structure, and semiconductor device JSR CORPORATION (JP) 2007-11-06 US disclosed
US-20060024980-A1 Silica-based film, method of forming the same, composition for forming insulating film for semiconductor device, interconnect structure, and semiconductor device JSR CORPORATION (JP) 2006-02-02 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 ALDH1A1 4151/4885HTT 2905/4885SMN1; SMN2 3546/4885

“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.