SCHEMBL21992407

SCHEMBL21992407

O=C(O)[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 6/20 0.59
SLC1A3 P43003 5/20 0.59
SLC1A2 P43004 5/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
FOLH1 Q04609 1/20 0.45
TSHR P16473 1/20 0.44
TACR1 P25103 2/20 0.41
MAPK1 P28482 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL21992360 1.00 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL21992356 0.88 SLC1A1 (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL30989122 0.84 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL22247084 0.84 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL418322 0.82 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL852209 0.82 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL1953602 0.82 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL9254953 0.82 SLC1A2 (0.61) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL13173217 0.82 SLC1A2 (0.61) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL21580352 0.82 SLC1A1 (0.66) SLC1A1SLC1A3SLC1A2MEN1CYP1A2

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-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-06-09 US disclosed
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
WO-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 WO 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 (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-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP SLC1A1 2046/4885SLC1A3 2304/4885SLC1A2 2303/4885
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP SLC1A1 2202/4885SLC1A3 2556/4885SLC1A2 2517/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP SLC1A1 2046/4885SLC1A3 2304/4885SLC1A2 2303/4885

“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.