SCHEMBL19861173

SCHEMBL19861173

CC(C)(C)CC(=O)NCCCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.53
SLC6A5 Q9Y345 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 2/20 0.42
KDM4A O75164 1/20 0.42
TET2 Q6N021 1/20 0.42
DOHH Q9BU89 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP2 P42575 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL19861244 0.98 PAOX (0.57) PAOXSLC6A5MEN1KMT2AHIF1A
SCHEMBL19861312 0.98 PAOX (0.57) PAOXSLC6A5MEN1KMT2AHIF1A
SCHEMBL19861157 0.94 PAOX (0.45) PAOXSLC6A5MEN1KMT2AHIF1A
SCHEMBL23518488 0.87 MEN1 (0.52) PAOXMEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL1963990 0.85 HPGD (0.42) PAOXMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20121987 0.82 CASP2 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1CASP2
SCHEMBL13374396 0.82 MEN1 (0.46) MEN1KMT2AHIF1ASMN1; SMN2ALDH1A1
SCHEMBL4782817 0.80 HPGD (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25475907 0.80 MEN1 (0.45) PAOXMEN1KMT2AHIF1ASMN1; SMN2
SCHEMBL24193577 0.80 MEN1 (0.45) PAOXMEN1KMT2AHIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 PAOX 3995/4885SLC6A5 1416/4885MEN1 523/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 PAOX 4000/4885SLC6A5 1543/4885MEN1 786/4885

“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.