SCHEMBL21992379

SCHEMBL21992379

CC(C)(C)C(=O)NCCNC(=O)CCOCCOCCNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
RECQL P46063 1/20 0.32
CASP2 P42575 1/20 0.31
GLP1R P43220 3/20 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
SCHEMBL24489184 0.94 MEN1 (0.37) MEN1KMT2ACA2CA12CA1
SCHEMBL12317194 0.92 TSHR (0.45) MEN1KMT2ACA2CA12CA1
SCHEMBL13155295 0.91 TSHR (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL23975101 0.91 KDM4E (0.38) MEN1KMT2ACA2CA12CA1
SCHEMBL12195206 0.90 TSHR (0.46) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL21991825 0.90 KMT2A (0.47) MEN1KMT2ACA2CA12CA1
SCHEMBL5066367 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL25890726 0.87 MEN1 (0.39) MEN1KMT2ACA2CA12CA1
SCHEMBL18563630 0.86 MEN1 (0.37) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL12317216 0.85 TSHR (0.40) MEN1KMT2ACA2CA12CA1

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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP MEN1 3846/4885KMT2A 4466/4885CA2 3740/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP MEN1 4305/4885KMT2A 4702/4885CA2 3858/4885

“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.