SCHEMBL21991871

SCHEMBL21991871

CC(C)(C)C(=O)N1CC2(CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
GRM5 P41594 3/20 0.41
EPHX2 P34913 1/20 0.36
SPR P35270 1/20 0.35
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL18702133 0.98 HSD11B1 (0.44) HSD11B1GRM5EPHX2SPRRIPK1
SCHEMBL21137552 0.94 HSD11B1 (0.41) HSD11B1GRM5EPHX2SPRRIPK1
SCHEMBL18702006 0.84 HSD11B1 (0.59) HSD11B1GRM5EPHX2SPRALDH1A1
SCHEMBL20469388 0.80 VNN1 (0.40) EPHX2
SCHEMBL18701822 0.80 HSD11B1 (0.48) HSD11B1GRM5EPHX2SPRRIPK1
SCHEMBL18701825 0.79 HSD11B1 (0.46) HSD11B1EPHX2RIPK1ALDH1A1CYP1A2
SCHEMBL22520600 0.78 GRM5 (0.36) HSD11B1GRM5RIPK1
SCHEMBL31575292 0.76 LMNA (0.40) HSD11B1GRM5EPHX2RIPK1CYP1A2
SCHEMBL24279550 0.76 CYP3A4 (0.46) HSD11B1GRM5ALDH1A1CYP1A2CYP2D6
SCHEMBL12208870 0.75 EPHX2 (0.33) HSD11B1EPHX2SPRRIPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 GLYCOMIMETICS, INC. (US) 2023-01-10 US disclosed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US disclosed
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-12-24 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 (6 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 HSD11B1 2649/4885GRM5 1453/4885EPHX2 456/4885
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 LGALS3, LGALS3BP, LGALS1 HSD11B1 3750/4885GRM5 2610/4885EPHX2 987/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP HSD11B1 4126/4885GRM5 4016/4885EPHX2 341/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG HSD11B1 4099/4885GRM5 1517/4885EPHX2 879/4885
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 LGALS3, LGALS3BP, LGALS1 HSD11B1 3750/4885GRM5 2610/4885EPHX2 987/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP HSD11B1 2558/4885GRM5 1326/4885EPHX2 323/4885

“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.