SCHEMBL17355686

SCHEMBL17355686

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.43
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
HSD11B1 P28845 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CXCR2 P25025 2/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CXCR1 P25024 1/20 0.38
PTGS2 P35354 2/20 0.37
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 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
SCHEMBL17355682 0.86 ALDH1A1 (0.39) PTGS2TSHRPTGS1KMT2A
SCHEMBL6940149 0.85 TDP1 (0.44) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL17355677 0.81 PTGS2 (0.39) CA1CA2PTGS2TSHRPTGS1
SCHEMBL7247499 0.81 ALDH1A1 (0.49) CA2PTGS2TSHRPTGS1KMT2A
SCHEMBL17355691 0.80 HTR2A (0.35) PTGS2TSHRPTGS1KMT2A
SCHEMBL8900273 0.79 L3MBTL1 (0.47) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL17355683 0.79 ALPI (0.43) CA2PTGS2TSHRPTGS1KMT2A
SCHEMBL2910645 0.79 SOS1 (0.51) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL17356309 0.79 HTR1D (0.43) HTR1DHTR1AHTR1BHSD11B1CA1
SCHEMBL19859152 0.78 CXCR2 (0.43) HTR1DHTR1AHTR1BHSD11B1CA1

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 HTR1D 4151/4885HTR1A 4640/4885HTR1B 4583/4885

“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.