SCHEMBL21206352

SCHEMBL21206352

CC(C)(C)C(=O)Cn1cc(C(=O)C(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.36
SRC P12931 2/20 0.36
MAPK1 P28482 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MITF O75030 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MEN1 O00255 1/20 0.34
SCD O00767 1/20 0.33
CA5A P35218 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 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
SCHEMBL24621692 0.87 TSHR (0.40) TSHRALDH1A1LMNAGLASRC
SCHEMBL12418868 0.83 KDM4E (0.40) TSHRALDH1A1LMNAGLASRC
SCHEMBL23675961 0.83 MAPK1 (0.37) TSHRALDH1A1LMNAGLASRC
SCHEMBL18307624 0.80 GLA (0.46) TSHRALDH1A1LMNAGLASRC
SCHEMBL12392022 0.80 NR1H4 (0.40) ALDH1A1LMNAGLASMN1; SMN2NR1H4
SCHEMBL23278768 0.78 TSHR (0.41) TSHRALDH1A1LMNASRCMAPK1
SCHEMBL25446383 0.78 NR1H4 (0.38) ALDH1A1LMNAGLASMN1; SMN2MAPT
SCHEMBL25446432 0.74 HSP90AB1 (0.46) TSHRALDH1A1LMNAKMT2ANPC1
SCHEMBL3279219 0.73 MME (0.37)
SCHEMBL12391978 0.73 MAPT (0.42) ALDH1A1LMNAMAPTNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 US disclosed
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING GLYCOMIMETICS, INC. (US) 2023-07-13 US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 US disclosed
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 US disclosed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US disclosed
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2021-10-21 US disclosed
US-11072625-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2021-07-27 US disclosed
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2019-08-01 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 (9 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-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG TSHR 2178/4885ALDH1A1 759/4885LMNA 1882/4885
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG TSHR 2178/4885ALDH1A1 759/4885LMNA 1882/4885
US-11072625-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG TSHR 1887/4885ALDH1A1 773/4885LMNA 2271/4885
US-20230218649-A1 COMPOSITIONS AND METHODS FOR OVERCOMING MICROENVIRONMENT-MEDIATED RESISTANCE VIA E-SELECTIN TARGETING SELE, SELPLG, MCL1 TSHR 4318/4885ALDH1A1 1037/4885LMNA 2588/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL TSHR 3058/4885ALDH1A1 1066/4885LMNA 3544/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG TSHR 1887/4885ALDH1A1 773/4885LMNA 2271/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG TSHR 4014/4885ALDH1A1 1387/4885LMNA 1733/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG TSHR 1769/4885ALDH1A1 1201/4885LMNA 1616/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG TSHR 2178/4885ALDH1A1 759/4885LMNA 1882/4885

“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.