SCHEMBL3774822

SCHEMBL3774822

CCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.38
MMP1 P03956 6/20 0.38
KCNH2 Q12809 1/20 0.33
MMP9 P14780 4/20 0.32
GAA P10253 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ADAM17 P78536 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
PKM P14618 1/20 0.31
HSD11B1 P28845 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL3774828 0.85
SCHEMBL454990 0.80 HSD11B1 (0.40) MMP13MMP1KCNH2MMP9GAA
SCHEMBL503835 0.79 HSD11B1 (0.40) MMP13MMP1KCNH2MMP9GAA
Lithium Ion SCHEMBL18007875 0.78
SCHEMBL18008388 0.78
Potassium Ion SCHEMBL18008282 0.78
Lithium Ion SCHEMBL18008577 0.77
SCHEMBL18008138 0.77
Lithium Ion SCHEMBL18009148 0.77
Potassium Ion SCHEMBL18008537 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809476-B2 Polymer JSR CORPORATION (JP) 2014-08-19 US disclosed
US-20130053526-A1 POLYMER JSR CORPORATION (JP) 2013-02-28 US disclosed
US-8334087-B2 Polymer, radiation-sensitive composition, monomer, and method of producing compound JSR CORPORATION (JP) 2012-12-18 US disclosed
US-20100310987-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND JSR CORPORATION (JP) 2010-12-09 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-20100310987-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND RAD1, FRG1, RAD51 MMP13 3969/4885MMP1 3394/4885KCNH2 3049/4885

“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.