Sugi Predict

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SCHEMBL3516103

SCHEMBL3516103

O=C(OF)C(F)(F)S(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CES1 P23141 2/20 0.36
▸ TSHR P16473 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL2510738 0.87 HSD11B1 (0.43) GAAL3MBTL1CES1SMN1; SMN2HSD11B1
SCHEMBL27881188 0.83 GAA (0.49) GAAL3MBTL1TSHRSMN1; SMN2KMT2A
SCHEMBL2340409 0.73 CA1 (0.47) GAAL3MBTL1CES1TSHRHSD11B1
SCHEMBL1773289 0.72 GAA (0.52) GAAL3MBTL1TSHRSMN1; SMN2KMT2A
SCHEMBL2451645 0.69 KCNN4 (0.45) CES1TSHRKMT2AHTTMEN1
Hydrochloric Acid SCHEMBL29145555 0.68 KCNN4 (0.44) CES1TSHRKMT2AHTTMEN1
SCHEMBL27568720 0.68 KCNN4 (0.44) CES1TSHRSMN1; SMN2KMT2AHTT
SCHEMBL29095960 0.68 KCNN4 (0.44) CES1TSHRKMT2AHTTMEN1
SCHEMBL28469203 0.67 ALDH1A1 (0.46) L3MBTL1CES1TSHRSMN1; SMN2HSD11B1
SCHEMBL3024913 0.67 GAA (0.38) GAAL3MBTL1CES1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107209460-A Photoetching comprising the hydrolysable silanes with carbonic ester skeleton is with resist lower membrane formation composition 日产化学工业株式会社 2017-09-26 — — CN disclosed
US-8858830-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2014-10-14 — — US disclosed
US-20130289316-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2013-10-31 — — US disclosed
US-20130135544-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-05-30 — — US disclosed
US-8343595-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-01-01 — — US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 — — 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-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE DDT, BRAF, LEF1 GAA 4270/4885L3MBTL1 332/4885CES1 3390/4885

“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.