SCHEMBL17355683

SCHEMBL17355683

CCS(=O)(=O)Oc1ccc(F)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 3/20 0.43
ALPL P05186 2/20 0.43
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 2/20 0.39
MMP7 P09237 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGS2 P35354 2/20 0.37
TSHR P16473 2/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
EPAS1 Q99814 1/20 0.36
PDIA6 Q15084 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
SCHEMBL17355674 0.88 CA12 (0.44) ALPIALPLCA2CA12MMP2
SCHEMBL17355679 0.85 ALPL (0.49) ALPIALPLCA2CA12MMP2
SCHEMBL17355691 0.83 HTR2A (0.35) ALPIHTR2ASLC6A4KCNH2PTGS2
SCHEMBL17355678 0.82 EPAS1 (0.35) HTR2ASLC6A4KCNH2PTGS2TSHR
SCHEMBL7247499 0.81 ALDH1A1 (0.49) ALPIALPLCA2CA12HTR2A
SCHEMBL17355677 0.81 PTGS2 (0.39) CA2HTR2ASLC6A4KCNH2PTGS2
SCHEMBL17355676 0.79 EPAS1 (0.35) HTR2ASLC6A4KCNH2PTGS2TSHR
SCHEMBL17355686 0.79 HTR1D (0.43) CA2PTGS2TSHRPTGS1KMT2A
SCHEMBL17355682 0.79 ALDH1A1 (0.39) HTR2ASLC6A4KCNH2PTGS2TSHR
SCHEMBL28330715 0.79 ALPI (0.43) ALPIALPLCA2CA12MMP2

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 ALPI 1701/4885ALPL 791/4885CA2 286/4885

“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.