SCHEMBL2294485

SCHEMBL2294485

O=C(O)c1cnn(C2CCOCC2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KDM4C Q9H3R0 2/20 0.41
NR3C1 P04150 3/20 0.40
LRRK2 Q5S007 1/20 0.38
HSD11B1 P28845 2/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1406966 0.90 MAPT (0.51) MAPTSMN1; SMN2POLBHSD11B1KEAP1
Potassium SCHEMBL31133556 0.88 MAPT (0.50) MAPTSMN1; SMN2POLBHSD11B1KEAP1
SCHEMBL28613582 0.88 MAPT (0.50) MAPTSMN1; SMN2POLBHSD11B1KEAP1
SCHEMBL1406647 0.87 POLB (0.49) MAPTSMN1; SMN2POLBKDM4CNR3C1
SCHEMBL1407231 0.87 POLB (0.49) MAPTSMN1; SMN2POLBKDM4CHSD11B1
SCHEMBL27172741 0.86 POLB (0.48) MAPTSMN1; SMN2POLBKDM4CNR3C1
SCHEMBL1406795 0.86 POLB (0.48) MAPTSMN1; SMN2POLBKDM4CNR3C1
SCHEMBL1407020 0.84 POLB (0.47) MAPTSMN1; SMN2POLBHSD11B1KEAP1
SCHEMBL1407022 0.84 POLB (0.47) MAPTSMN1; SMN2POLBHSD11B1KEAP1
SCHEMBL1407186 0.84 POLB (0.47) MAPTSMN1; SMN2POLBHSD11B1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-12 US disclosed
EP-4339197-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR Lg Chem, Ltd. (KR) 2024-03-20 EP disclosed
CN-117500805-A Novel urea derivative compounds as RON inhibitors 株式会社LG化学 2024-02-02 CN disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 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 (2 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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 MAPT 4760/4885SMN1; SMN2 1771/4885POLB 3979/4885
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR CDKN1A, RET, UBTF MAPT 2721/4885SMN1; SMN2 4350/4885POLB 3957/4885

“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.