SCHEMBL21135740

SCHEMBL21135740

CC(C)C(=O)C(F)(CC1CCCCC1)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.32
MLYCD O95822 1/20 0.32
MMP1 P03956 2/20 0.32
MMP13 P45452 2/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HSD11B1 P28845 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30
SIGMAR1 Q99720 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
SCHEMBL21135976 0.82 HDAC6 (0.34) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135757 0.81 MMP1 (0.33) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135980 0.81 HDAC6 (0.33) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21136588 0.81 CTSL (0.33) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135765 0.81 CTSL (0.33) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135974 0.79 MMP1 (0.40) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135984 0.78 EPHX1 (0.36) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL21135957 0.76 METAP1 (0.31) MMP1MMP13MMP9ADAM17GRM2
SCHEMBL21135704 0.73 MMP1 (0.35) HDAC6MLYCDMMP1MMP13MMP9
SCHEMBL2438364 0.73 GRM2 (0.36) GRM2GRM3HSD11B1SIGMAR1

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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-06-27 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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE RER1, ACTR5, RAD51 HDAC6 2911/4885MLYCD 4355/4885MMP1 3169/4885

“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.