SCHEMBL20581981

SCHEMBL20581981

CC1CCOC(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
SCHEMBL22127645 1.00 MAPK1 (0.36) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL20054632 1.00 MAPK1 (0.36) MAPK1SMN1; SMN2TP53NFKB1CYP2C19
SCHEMBL20054634 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 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
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 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 (1 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-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL MAPK1 4462/4885SMN1; SMN2 2598/4885TP53 4391/4885

“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.