SCHEMBL17355682

SCHEMBL17355682

Cc1cc(OS(=O)(=O)C(C)(C)C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
EPAS1 Q99814 2/20 0.38
PTGS2 P35354 3/20 0.37
TSHR P16473 2/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 2/20 0.36
PDIA6 Q15084 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
TNF P01375 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
STS P08842 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
ATM Q13315 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
SCHEMBL17355686 0.86 HTR1D (0.43) PTGS2TSHRPTGS1KMT2A
SCHEMBL17355677 0.81 PTGS2 (0.39) EPAS1PTGS2TSHRPTGS1KMT2A
SCHEMBL7247499 0.81 ALDH1A1 (0.49) ALDH1A1EPAS1PTGS2TSHRPTGS1
SCHEMBL17356299 0.79 SLC22A12 (0.42) ALDH1A1HTR2ASLC6A4KCNH2SLC22A12
SCHEMBL17355683 0.79 ALPI (0.43) EPAS1PTGS2TSHRPTGS1KMT2A
SCHEMBL17355675 0.77 EPAS1 (0.38) EPAS1PTGS2TSHRPTGS1KMT2A
SCHEMBL17355690 0.77 KMT2A (0.52) ALDH1A1EPAS1TSHRKMT2ASMN1; SMN2
SCHEMBL17355691 0.77 HTR2A (0.35) ALDH1A1EPAS1PTGS2TSHRPTGS1
SCHEMBL17355681 0.76 PTGS2 (0.36) ALDH1A1EPAS1PTGS2TSHRPTGS1
SCHEMBL17355696 0.76 CA1 (0.46) EPAS1PTGS2TSHRPTGS1KMT2A

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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 ALDH1A1 1059/4885EPAS1 1684/4885PTGS2 3718/4885

“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.