SCHEMBL20054634

SCHEMBL20054634

C[C@@H]1CCOC(C)(C(=O)O)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR3 O14843 1/20 0.30

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
SCHEMBL20581981 1.00 MAPK1 (0.36) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL22127645 1.00 MAPK1 (0.36) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL20054632 1.00 MAPK1 (0.36) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
Fluoride SCHEMBL21933484 0.83 MAPK1 (0.34) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL20221108 0.82 L3MBTL1 (0.33)
Fluoride SCHEMBL23795544 0.82 MAPK1 (0.33) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
Fluoride SCHEMBL22129962 0.82 MAPK1 (0.33) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
Fluoride SCHEMBL23795550 0.82 MAPK1 (0.33) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL16796676 0.81 MAPK1 (0.35) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL22141637 0.79 POLB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 EP disclosed
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-06-06 US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20210177877-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-17 US disclosed
US-20210177877-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-17 US disclosed
EP-3801496-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE Flagship Pioneering Innovations V, Inc. (US) 2021-04-14 EP disclosed
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-23 US disclosed
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-23 US disclosed
CN-112367987-A Active agents and methods for their use in treating metabolic disorders and non-alcoholic fatty liver disease 旗舰创业创新五公司 2021-02-12 CN disclosed
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING, INC. 2020-06-25 US disclosed
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING, INC. 2020-06-25 US disclosed
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME KINTAI THERAPEUTICS, INC. 2020-04-02 US disclosed
CN-110869024-A Multi-biological agents and methods of use thereof 旗舰创业创新五公司 2020-03-06 CN disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 WO disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP 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 (7 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-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FABP1, PYGL, LIPC MAPK1 4177/4885SMN1; SMN2 4118/4885TP53 3924/4885
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC MAPK1 4177/4885SMN1; SMN2 4118/4885TP53 3924/4885
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL MAPK1 4462/4885SMN1; SMN2 2598/4885TP53 4391/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL MAPK1 4462/4885SMN1; SMN2 2598/4885TP53 4391/4885
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC MAPK1 4177/4885SMN1; SMN2 4118/4885TP53 3924/4885
US-20210177877-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC MAPK1 4177/4885SMN1; SMN2 4118/4885TP53 3924/4885
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FABP1, PYGL, LIPC MAPK1 4177/4885SMN1; SMN2 4118/4885TP53 3924/4885

“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.