SCHEMBL21981199

SCHEMBL21981199

CC1CCCN(c2ncn(C)c3ncnc2-3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.47
▸ GRM4 Q14833 2/20 0.44
▸ LRRK2 Q5S007 8/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL22118361 1.00 JAK3 (0.47) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL27366298 0.76 JAK3 (0.50) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862642 0.67 JAK3 (0.55) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862666 0.67 JAK3 (0.55) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL4935278 0.66 KDM4E (0.37) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL18967632 0.66 KHK (0.71) JAK3LRRK2
SCHEMBL4932197 0.66 KDM4E (0.37) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL25668430 0.65 JAK3 (0.53) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL14325245 0.64 GRM4 (0.45) JAK3GRM4LRRK2NPC1MAPT
SCHEMBL20862485 0.64 JAK3 (1.00) JAK3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165608-A1 INHIBITION OF VASCULAR ENDOTHELIAL CELL-MEDIATED PHAGOCYTIC PROCESSES FOR TREATMENT OF DEMYELINATING CONDITIONS NATIONAL SCIENCE FOUNDATION 2020-05-28 — — US claimed
US-20240415791-A1 Therapeutic methods and compositions for treating cancer using devimistat and a fatty acid oxidation inhibitor, a tyrosine kinase inhibitor, a glutaminase inhibitor, and/or a glycolysis inhibitor CORNERSTONE PHARMACEUTICALS INC (US) 2024-12-19 — — US disclosed
WO-2023070101-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING DEVIMISTAT AND A FATTY ACID OXIDATION INHIBITOR, A TYROSINE KINASE INHIBITOR, A GLUTAMINASE INHIBITOR, AND/OR A GLYCOLYSIS INHIBITOR CORNERSTONE PHARMACEUTICALS, INC. (US) 2023-04-27 — — WO disclosed
US-20220054445-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR RAFAEL PHARMACEUTICALS INC (US) 2022-02-24 — — US disclosed
US-20220040133-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID RAFAEL PHARMACEUTICALS INC (US) 2022-02-10 — — US disclosed
CN-113543778-A Therapeutic methods and compositions for treating cancer using 6, 8-bis-benzylthio-octanoic acid and an autophagy inhibitor 拉斐尔制药股份有限公司 2021-10-22 — — CN disclosed
CN-113543779-A Oral therapy with 6, 8-bis-benzylthio-octanoic acid 拉斐尔制药股份有限公司 2021-10-22 — — CN disclosed
US-20200165608-A1 INHIBITION OF VASCULAR ENDOTHELIAL CELL-MEDIATED PHAGOCYTIC PROCESSES FOR TREATMENT OF DEMYELINATING CONDITIONS NATIONAL SCIENCE FOUNDATION 2020-05-28 — — 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-20240415791-A1 Therapeutic methods and compositions for treating cancer using devimistat and a fatty acid oxidation inhibitor, a tyrosine kinase inhibitor, a glutaminase inhibitor, and/or a glycolysis inhibitor PDK4, PDK2, PDK1 JAK3 389/4885GRM4 1031/4885LRRK2 2546/4885
US-20220054445-A1 THERAPEUTIC METHODS AND COMPOSITIONS FOR TREATING CANCER USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID AND AN AUTOPHAGY INHIBITOR BECN1, ATG7, SQSTM1 JAK3 3651/4885GRM4 4234/4885LRRK2 663/4885
US-20220040133-A1 ORAL THERAPY USING 6,8-BIS-BENZYLTHIO-OCTANOIC ACID SLC10A6, SLC10A1, SLC10A2 JAK3 1972/4885GRM4 2929/4885LRRK2 4034/4885

“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.

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