SCHEMBL21606708

SCHEMBL21606708

O=C(O)CCc1cnnn1Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.77
GAA P10253 1/20 0.51
KEAP1 Q14145 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
FFAR1 O14842 1/20 0.46
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
P2RX7 Q99572 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL21606733 0.84 HSD11B1 (0.67) HSD11B1SIRT2SIRT1HPGDMAPK1
SCHEMBL15874678 0.83 HSD11B1 (0.65) HSD11B1SIRT2SIRT1HDAC3HDAC1
SCHEMBL21606911 0.83 HSD11B1 (0.65) HSD11B1SIRT2SIRT1MAPK1SMN1; SMN2
SCHEMBL15875458 0.82 HSD11B1 (0.61) HSD11B1GAASIRT2SIRT1HDAC3
SCHEMBL4195851 0.80 HSD11B1 (0.61) HSD11B1SIRT2SIRT1P2RX7HPGD
SCHEMBL21606709 0.80 HSD11B1 (0.61) HSD11B1GAASIRT2SIRT1HDAC3
SCHEMBL21606782 0.79 HSD11B1 (0.60) HSD11B1SIRT2SIRT1HDAC3HDAC1
SCHEMBL23812236 0.78 HSD11B1 (0.59) HSD11B1SIRT2SIRT1HDAC3HDAC1
SCHEMBL2898638 0.77 HSD11B1 (0.58) HSD11B1SIRT2SIRT1P2RX7CYP11B1
SCHEMBL18359857 0.76 HSD11B1 (0.56) HSD11B1SIRT2SIRT1P2RX7LMNA

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 3808/4885GAA 2564/4885KEAP1 2594/4885

“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.