SCHEMBL21606709

SCHEMBL21606709

O=C(CCc1cnnn1Cc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.61
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 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
SCHEMBL21606911 0.82 HSD11B1 (0.65) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL21606733 0.81 HSD11B1 (0.67) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL21606708 0.80 HSD11B1 (0.77) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL23812236 0.77 HSD11B1 (0.59) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL22499185 0.77 TDP1 (0.58) HDAC2HDAC8HDAC6KMT2A
SCHEMBL21606745 0.74 CYP19A1 (0.55) HDAC1
SCHEMBL15874678 0.72 HSD11B1 (0.65) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL15875458 0.72 HSD11B1 (0.61) HSD11B1SIRT2SIRT1GAAHDAC3
SCHEMBL15875668 0.70 HSD11B1 (0.53) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL21606775 0.70 HSD11B1 (0.56) HSD11B1CYP11B1CYP11B2SIRT2SIRT1

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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 WO 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 HSD11B1 3808/4885CYP11B1 3864/4885CYP11B2 3783/4885

“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.