SCHEMBL21135763

SCHEMBL21135763

COC(=O)C(F)(C1CCCC1)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21135923 0.83
SCHEMBL21135773 0.83 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1NPSR1
SCHEMBL21135986 0.81 ALDH1A1 (0.32) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL21135730 0.81 CYP19A1 (0.40)
SCHEMBL21135983 0.76 LIPA (0.30)
SCHEMBL21136389 0.74 CES2 (0.37) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21135974 0.73 MMP1 (0.40) NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL21135703 0.70 PDK1 (0.32) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10225076 0.69 ALDH1A1 (0.34) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3870823 0.69 ALDH1A1 (0.33) ALDH1A1L3MBTL1

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 NR1H2 1264/4885NR1H3 1454/4885NPC1 4085/4885

“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.