SCHEMBL15067261

SCHEMBL15067261

O=S(=O)(c1[c]c(F)ccc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3053466 0.87 ALDH1A1 (0.36) EPAS1ALDH1A1CA2LMNAMAPK1
SCHEMBL5187074 0.75 KEAP1 (0.34)
SCHEMBL447764 0.69 ALDH1A1 (0.37) EPAS1ALDH1A1CA2LMNAMAPK1
SCHEMBL16098938 0.68 PSIP1 (0.35) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL17289072 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7988077 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4017 0.67
SCHEMBL10438545 0.66 HSD11B1 (0.43) ALDH1A1
SCHEMBL21634571 0.64
SCHEMBL20954103 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-9150581-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20140357674-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2014-12-04 US disclosed
WO-2013101802-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2013-07-04 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-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS CHRNB4, CHRNA4, CHRNB2 EPAS1 3723/4885ALDH1A1 1665/4885CA2 3767/4885
US-20140357674-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNB4, CHRNA4, CHRNB2 EPAS1 3723/4885ALDH1A1 1665/4885CA2 3767/4885

“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.