SCHEMBL4339834

SCHEMBL4339834

CC(C)(C)c1ccccc1[S+](c1ccccc1)c1ccccc1.N#Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
AR P10275 1/20 0.38
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
EEF2K O00418 1/20 0.36
LSS P48449 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
CYP19A1 P11511 3/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAOB P27338 1/20 0.34
RAD51 Q06609 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL4328680 0.83 MAPT (0.47) MAPTARNR3C1PGRKEAP1
SCHEMBL31290711 0.81 ALDH1A1 (0.39)
SCHEMBL2634259 0.81 ALDH1A1 (0.39)
SCHEMBL4332359 0.78 SLC22A12 (0.39) MAPTSLC22A12TRPV4CYP19A1CA12
Trifluoromethanesulfonic Acid SCHEMBL1813934 0.77 HSD11B1 (0.40) ACHE
SCHEMBL31005109 0.76 ALDH1A1 (0.43) CA2
SCHEMBL3200821 0.76 ALDH1A1 (0.43) CA2
SCHEMBL4924607 0.76 NR1I2 (0.33) CA12CA1CA2CA9
Bromide SCHEMBL2480522 0.74 ALDH1A1 (0.41) CA2
SCHEMBL31236639 0.74 ALDH1A1 (0.35) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-07-16 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-20090181319-A1 AROMATIC FLUORINE-FREE PHOTOACID GENERATORS AND PHOTORESIST COMPOSITIONS CONTAINING THE SAME PFAS, AFF1, AFF2 MAPT 1966/4885SLC22A12 2490/4885AR 1528/4885

“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.