SCHEMBL15948601

SCHEMBL15948601

CCCCNC(=O)CSCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.48
EPHX1 P07099 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAAA Q02083 1/20 0.46
ACHE P22303 1/20 0.44
MMP2 P08253 1/20 0.44
HPGD P15428 1/20 0.43
FAAH O00519 2/20 0.43
CNR1 P21554 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL16705986 0.94 CASP2 (0.57) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL23489532 0.89 MEN1 (0.54) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL16123439 0.87 MCL1 (0.47) CASP2EPHX1MEN1KMT2AMMP2
SCHEMBL12314650 0.86 CASP2 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL9879638 0.84 CES2 (0.55) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL22931570 0.81 PAOX (0.53) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL12656851 0.81 CASP2 (0.43) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL19069757 0.81 CASP2 (0.50) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL16946573 0.80 MEN1 (0.44) CASP2MEN1KMT2ACNR1
SCHEMBL23475954 0.80 MEN1 (0.39) CASP2MEN1KMT2ANAAA

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-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CASP2 1753/4885EPHX1 891/4885MEN1 2133/4885

“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.