SCHEMBL22092385

SCHEMBL22092385

O=C(CNC(=O)C(F)(F)F)OC(=O)CNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA2 P00918 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
EPHX1 P07099 1/20 0.42
TET2 Q6N021 1/20 0.33
RECQL P46063 1/20 0.32
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL14440671 0.83 TET2 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21488436 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23366306 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22892465 0.78 CA14 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16691200 0.78 GAA (0.53) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1460181 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16685278 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865926 0.76
SCHEMBL7771621 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9138159 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079833-A1 GALACTOSE-LINKED MULTIMERIC GLYCOMIMETIC INHIBITORS OF E-SELECTINS, GALECTIN-3, AND/OR CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2023-03-16 US disclosed
US-20220265693-A1 USE OF E-SELECTIN ANTAGONISTS TO ENHANCE THE SURVIVAL OF RECONSTITUTED, BONE MARROW-DEPLETED HOSTS GLYCOMIMETICS, INC. (US) 2022-08-25 US disclosed
US-20220265691-A1 METHODS FOR USE OF GENE EXPRESSION AS AN INDICATOR OF E-SELECTIN INHIBITOR EFFICACY AND CLINICAL OUTCOME FOR MULTIPLE TUMOR TYPES GLYCOMIMETICS, INC. (US) 2022-08-25 US disclosed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US disclosed
EP-4003367-A1 USE OF E-SELECTIN ANTAGONISTS TO ENHANCE THE SURVIVAL OF RECONSTITUTED, BONE MARROW-DEPLETED HOSTS GlycoMimetics, Inc. (US) 2022-06-01 EP disclosed
EP-3997247-A1 METHODS FOR USE OF GENE EXPRESSION AS AN INDICATOR OF E-SELECTIN INHIBITOR EFFICACY AND CLINICAL OUTCOME FOR MULTIPLE TUMOR TYPES GlycoMimetics, Inc. (US) 2022-05-18 EP disclosed
CN-114401726-A Use of E-selectin antagonists to improve survival of reconstituted bone marrow depleted hosts 糖模拟物有限公司 2022-04-26 CN disclosed
CN-114341368-A Methods of using gene expression as an indicator of E-selectin inhibitor efficacy and clinical outcome for multiple tumor types 糖模拟物有限公司 2022-04-12 CN disclosed
CN-114340736-A Galactose-linked multimeric glycomimetic inhibitors of E-selectin, galectin-3 and/or CXCR4 chemokine receptors 糖模拟物有限公司 2022-04-12 CN disclosed
EP-3958978-A1 GALACTOSE-LINKED MULTIMERIC GLYCOMIMETIC INHIBITORS OF E-SELECTINS, GALECTIN-3, AND/OR CXCR4 CHEMOKINE RECEPTORS GlycoMimetics, Inc. (US) 2022-03-02 EP disclosed
CN-113801178-A Dual targeting compounds for inhibition of E-selectin and CXCR4 chemokine receptors 梁玉增 2021-12-17 CN disclosed
EP-3911307-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY GlycoMimetics, Inc. (US) 2021-11-24 EP disclosed
EP-3893936-A2 METHODS OF TREATING HIV AND AIDS AND THE ELIMINATION OF LATENT RESERVOIRS OF HIV INFECTION USING SELECTIN, GALECTIN, AND SIGLEC ANTAGONISTS GlycoMimetics, Inc. (US) 2021-10-20 EP disclosed
WO-2021022132-A1 USE OF E-SELECTIN ANTAGONISTS TO ENHANCE THE SURVIVAL OF RECONSTITUTED, BONE MARROW-DEPLETED HOSTS MAGNANI JOHN L (US) 2021-02-04 WO disclosed
WO-2021011435-A1 METHODS FOR USE OF GENE EXPRESSION AS AN INDICATOR OF E-SELECTIN INHIBITOR EFFICACY AND CLINICAL OUTCOME FOR MULTIPLE TUMOR TYPES MAGNANI JOHN L (US) 2021-01-21 WO disclosed
WO-2020219417-A1 GALACTOSE-LINKED MULTIMERIC GLYCOMIMETIC INHIBITORS OF E-SELECTINS, GALECTIN-3, AND/OR CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2020-10-29 WO disclosed
WO-2020219419-A1 MULTIMERIC PAN–SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-10-29 WO 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
WO-2020123435-A2 METHODS OF TREATING HIV AND AIDS AND THE ELIMINATION OF LATENT RESERVOIRS OF HIV INFECTION USING SELECTIN, GALECTIN, AND SIGLEC ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-06-18 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 (4 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-20220265693-A1 USE OF E-SELECTIN ANTAGONISTS TO ENHANCE THE SURVIVAL OF RECONSTITUTED, BONE MARROW-DEPLETED HOSTS SELE, SELPLG, SELL ALDH1A1 469/4885SMN1; SMN2 1159/4885POLB 3966/4885
US-20230079833-A1 GALACTOSE-LINKED MULTIMERIC GLYCOMIMETIC INHIBITORS OF E-SELECTINS, GALECTIN-3, AND/OR CXCR4 CHEMOKINE RECEPTORS LGALS3, LGALS1, CXCR4 ALDH1A1 1188/4885SMN1; SMN2 3809/4885POLB 4690/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG ALDH1A1 1387/4885SMN1; SMN2 3439/4885POLB 4646/4885
US-20220265691-A1 METHODS FOR USE OF GENE EXPRESSION AS AN INDICATOR OF E-SELECTIN INHIBITOR EFFICACY AND CLINICAL OUTCOME FOR MULTIPLE TUMOR TYPES SIGLEC7, FUT7, FUT4 ALDH1A1 568/4885SMN1; SMN2 4557/4885POLB 2636/4885

“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.