SCHEMBL19861157

SCHEMBL19861157

CC(C)(C)CC(=O)NCCCN

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
SLC6A5 Q9Y345 2/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4A O75164 1/20 0.36
HIF1A Q16665 1/20 0.36
TET2 Q6N021 1/20 0.36
DOHH Q9BU89 1/20 0.36

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
SCHEMBL19861173 0.94 PAOX (0.53) PAOXMEN1KMT2AHPGDSLC6A5
SCHEMBL19861312 0.92 PAOX (0.57) PAOXMEN1KMT2ASLC6A5ALDH1A1
SCHEMBL19861244 0.92 PAOX (0.57) PAOXMEN1KMT2ASLC6A5ALDH1A1
SCHEMBL1963990 0.87 HPGD (0.42) PAOXMEN1KMT2AHPGDALDH1A1
SCHEMBL23518488 0.85 MEN1 (0.52) PAOXMEN1KMT2AHPGDALDH1A1
SCHEMBL12335215 0.82 MEN1 (0.42) PAOXMEN1KMT2ASLC6A5ALDH1A1
SCHEMBL24977935 0.82 PAOX (0.41) PAOXMEN1KMT2ASLC6A5ALDH1A1
SCHEMBL4782817 0.82 HPGD (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL854283 0.81 PTGS1 (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL4308618 0.81 CASP2 (0.50) MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844379-B2 Conjugated antisense compounds and their use IONIS PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 PAOX 3995/4885MEN1 523/4885KMT2A 4492/4885
US-10844379-B2 Conjugated antisense compounds and their use CSGALNACT1, GALNT1, GALNT6 PAOX 2450/4885MEN1 2908/4885KMT2A 1580/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 PAOX 4000/4885MEN1 786/4885KMT2A 4495/4885

“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.