SCHEMBL2247103

SCHEMBL2247103

O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SCN9A Q15858 10/20 0.37
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL593099 0.98 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CA12
Ammonia Solution, Strong SCHEMBL16105230 0.97 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12
Tert-Butylamine SCHEMBL2245604 0.92 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL14294661 0.90 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL2248937 0.89 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL15428051 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL687053 0.89 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL22590269 0.89 TSHR (0.38) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL687068 0.89 TSHR (0.38) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL787193 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12

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-9507259-B2 Photoresist composition ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2016-11-29 US disclosed
US-8846966-B2 Method for producing alkoxycarbonylfluoroalkanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2014-09-30 US disclosed
WO-2014017408-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION, AND ELECTRONIC DEVICE PRODUCING METHOD AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2014-01-30 WO disclosed
US-20130137038-A1 PHOTORESIST COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-30 US disclosed
US-20110207954-A1 Method for Producing Alkoxycarbonylfluoroalkanesulfonic Acid Salt CENTRAL GLASS COMPANY, LIMITED (JP) 2011-08-25 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 (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-20110207954-A1 Method for Producing Alkoxycarbonylfluoroalkanesulfonic Acid Salt ARSA, SLC6A5, PFAS ALDH1A1 1397/4885MEN1 4662/4885KMT2A 2634/4885

“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.