SCHEMBL889130

SCHEMBL889130

CCCCCCCCCCCCCCCCCCNC(=O)CCC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.69
NAAA Q02083 1/20 0.65
FAAH O00519 4/20 0.56
EPHX1 P07099 7/20 0.55
DNM1 Q05193 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 3/20 0.51

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
SCHEMBL889128 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL889190 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL889146 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL889142 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL889144 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL889185 1.00 CASP2 (0.69) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL22923666 0.98 CASP2 (0.66) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL13407575 0.92 CASP2 (0.57) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL15693100 0.92 CASP2 (0.55) CASP2NAAAFAAHEPHX1DNM1
SCHEMBL13375747 0.91 CASP2 (0.67) CASP2NAAAFAAHEPHX1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2017-12-21 US disclosed
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 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 (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-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 CASP2 2840/4885NAAA 789/4885FAAH 858/4885
US-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS NISCH, VIP, NGLY1 CASP2 865/4885NAAA 35/4885FAAH 1559/4885

“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.