SCHEMBL18313748

SCHEMBL18313748

CC(C)CSCC(=O)NCCOCCOCCNC(=O)CSCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ADRB2 P07550 4/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ CA2 P00918 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TLR2 O60603 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL23589931 0.94 KMT2A (0.44) MEN1KMT2AGAAPOLBADRB2
SCHEMBL23589933 0.94 KMT2A (0.44) MEN1KMT2AGAAPOLBADRB2
SCHEMBL24602591 0.94 MEN1 (0.44) MEN1KMT2AGAAPOLBADRB2
SCHEMBL18313631 0.91 MEN1 (0.41) MEN1KMT2AGAAPOLBADRB2
SCHEMBL24602601 0.91 MEN1 (0.41) MEN1KMT2AGAAPOLBADRB2
SCHEMBL23589877 0.80 GAA (0.52) KMT2AGAAPOLBSMN1; SMN2HPGD
SCHEMBL16476478 0.79 MEN1 (0.40) MEN1KMT2AGAAPOLBADRB2
SCHEMBL23589953 0.79 MEN1 (0.41) MEN1KMT2AGAAPOLBADRB2
SCHEMBL23589878 0.77 GAA (0.43) MEN1KMT2AGAASMN1; SMN2HPGD
SCHEMBL16137445 0.77 PTGS1 (0.38) MEN1KMT2AGAAPOLBSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2021-09-09 — — US disclosed
US-10851133-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2020-12-01 — — US disclosed
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY 2018-06-14 — — US disclosed
WO-2016201007-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY (US) 2016-12-15 — — 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 (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-10851133-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, CRYZ MEN1 220/4885KMT2A 3783/4885GAA 1155/4885
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ MEN1 220/4885KMT2A 3783/4885GAA 1155/4885
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ MEN1 220/4885KMT2A 3783/4885GAA 1155/4885

“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.

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