Sugi Predict

Sugi Predict / Compounds / SCHEMBL2433898

SCHEMBL2433898

SCHEMBL2433898

O=C(SCCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 7/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CES2 O00748 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 2/20 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
SCHEMBL630363 0.95 CES1 (0.38) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15403413 0.94 KMT2A (0.37) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15405929 0.91 KMT2A (0.37) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL2430958 0.90 CES1 (0.41) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15408350 0.89 KMT2A (0.36) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15402590 0.88 KMT2A (0.35) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15403165 0.88 KMT2A (0.37) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15403641 0.88 KMT2A (0.40) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15405591 0.88 KMT2A (0.37) CES1KMT2AGPR139PTPN1GSK3B
SCHEMBL15405863 0.88 KMT2A (0.37) CES1KMT2AGPR139PTPN1GSK3B

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
EP-2684870-A1 METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER Sumitomo Chemical Company Limited (JP) 2014-01-15 — — EP disclosed
US-8017656-B2 Organic sulfur compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-13 — — US disclosed
US-20090186941-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-23 — — US disclosed
EP-1951664-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF AS ARTHROPODICIDES Sumitomo Chemical Company, Limited (JP) 2008-08-06 — — EP disclosed
WO-2007060839-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF AS ARTHROPODICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 — — WO disclosed
WO-2007060839-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF AS ARTHROPODICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 — — WO 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-20090186941-A1 ORGANIC SULFUR COMPOUNDS AND USE THEREOF TST, SQOR, TRPA1 CES1 2230/4885KMT2A 4330/4885GPR139 3927/4885

“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.