SCHEMBL21606775

SCHEMBL21606775

COC(=O)[C@H](NC(=O)CCc1cnnn1Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP2 Q13822 4/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.39
PARP1 P09874 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL21606782 0.89 HSD11B1 (0.60) HSD11B1ENPP2CYP11B1CYP11B2LMNA
SCHEMBL21606762 0.84 PPARG (0.49) HSD11B1MEN1KMT2ALMNAPPARG
SCHEMBL21606759 0.84 PPARG (0.49) HSD11B1MEN1KMT2ALMNAPPARG
SCHEMBL21606708 0.75 HSD11B1 (0.77) HSD11B1CYP11B1CYP11B2LMNASMN1; SMN2
SCHEMBL21606911 0.75 HSD11B1 (0.65) HSD11B1CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL21606755 0.75 ATM (0.51) HSD11B1MEN1KMT2ALMNAPPARG
SCHEMBL21606753 0.75 ATM (0.51) HSD11B1MEN1KMT2ALMNAPPARG
SCHEMBL21606733 0.74 HSD11B1 (0.67) HSD11B1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL23812212 0.73 MEN1 (0.54) MEN1KMT2ALMNARECQL
SCHEMBL23812236 0.73 HSD11B1 (0.59) HSD11B1CYP11B1CYP11B2LMNAALDH1A1

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 3808/4885MEN1 969/4885KMT2A 2645/4885

“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.