SCHEMBL7062010

SCHEMBL7062010

CCCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)CCCC.[N-]=[N+]=C(S(=O)(=O)C1CCCC1)S(=O)(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
MMP12 P39900 1/20 0.33
ECE1 P42892 1/20 0.33
MMP13 P45452 1/20 0.33
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5552022 0.91 MMP1 (0.33) MMP1MMP7MMP12ECE1MMP13
SCHEMBL3219159 0.88 NAAA (0.35) MMP1MMP7MMP12ECE1MMP13
SCHEMBL2958603 0.86 MEN1 (0.34) MMP1MMP7MMP12ECE1MMP13
SCHEMBL36923 0.85 MMP1 (0.30) MMP1MMP7MMP12ECE1MMP13
SCHEMBL36675 0.84
SCHEMBL36482 0.84
SCHEMBL27565867 0.82
SCHEMBL36061 0.82
SCHEMBL64899 0.81 HTT (0.43) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL63951 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030198891-A1 Novel ester compounds polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-10-23 US 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-20030198891-A1 Novel ester compounds polymers, resist compositions and patterning process ARCN1, H1-2, RER1 MMP1 4123/4885MMP7 4258/4885MMP12 4148/4885

“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.