SCHEMBL16705986

SCHEMBL16705986

CCCCCNC(=O)CSCC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.57
NAAA Q02083 1/20 0.53
EPHX1 P07099 7/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FAAH O00519 2/20 0.49
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44

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
SCHEMBL15948601 0.94 CASP2 (0.48) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL23489532 0.92 MEN1 (0.54) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL16123439 0.85 MCL1 (0.47) CASP2EPHX1MEN1KMT2A
SCHEMBL22931570 0.83 PAOX (0.53) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL9879638 0.82 CES2 (0.55) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL16946573 0.82 MEN1 (0.44) CASP2MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL15341568 0.81 CES2 (0.58) CASP2NAAAEPHX1FAAH
SCHEMBL12360826 0.80 CASP2 (0.62) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL12314650 0.80 CASP2 (0.47) CASP2NAAAEPHX1MEN1KMT2A
SCHEMBL13990678 0.78 CASP2 (0.55) CASP2NAAAEPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000876-A1 METHOD FOR THE VACCINATION AGAINST HIV BIONOR IMMUNO AS (NO) 2017-01-05 US disclosed
US-20170000876-A1 METHOD FOR THE VACCINATION AGAINST HIV BIONOR IMMUNO AS (NO) 2017-01-05 US disclosed
WO-2015110659-A1 METHODS OF IMMUNIZATION WITH A VACCINE INDUCING A HUMORAL IMMUNE RESPONSE AND WITH A VACCINE INDUCING A CELLULAR IMMUNE RESPONSE BIONOR IMMUNO AS (NO) 2015-07-30 WO disclosed
US-20150174235-A1 VACCINE BIONOR IMMUNO AS (NO) 2015-06-25 US disclosed
US-20150174235-A1 VACCINE BIONOR IMMUNO AS (NO) 2015-06-25 US disclosed
US-20150132255-A1 HIV VACCINE BIONOR IMMUNO AS (NO) 2015-05-14 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 (3 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-20150132255-A1 HIV VACCINE CD4, CCR5, FURIN CASP2 2906/4885NAAA 3273/4885EPHX1 3576/4885
US-20170000876-A1 METHOD FOR THE VACCINATION AGAINST HIV CD4, KLK3, CCR5 CASP2 2201/4885NAAA 916/4885EPHX1 2333/4885
US-20150174235-A1 VACCINE HDAC5, HDAC9, HDAC4 CASP2 1108/4885NAAA 795/4885EPHX1 1756/4885

“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.