SCHEMBL4121500

SCHEMBL4121500

Fc1cccc(-c2ccccc2Sc2ccccc2-c2cccc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
ESR2 Q92731 1/20 0.42
MAOB P27338 1/20 0.41
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
PDK2 Q15119 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL31168142 0.79 HTT (0.49) TAAR1ESR2MAOBPDK2KDM4E
SCHEMBL19503242 0.79 HTT (0.49) TAAR1ESR2MAOBPDK2KDM4E
SCHEMBL30525640 0.77 PTPRC (0.50) TAAR1ESR2MAOBALOX5APFEN1
SCHEMBL780417 0.77 PTPRC (0.50) TAAR1ESR2MAOBALOX5APFEN1
SCHEMBL4115865 0.77 PTGS2 (0.46) ALOX5APFEN1
SCHEMBL3282075 0.76 TDO2 (0.42) TAAR1ESR2MAOBPDK2SMN1; SMN2
SCHEMBL1270617 0.76 MAOA (0.54) ALOX5APFEN1KDM4EMAPTLMNA
SCHEMBL3285247 0.76 RAB9A (0.42) MAOBKDM4EMAPTSMN1; SMN2TP53
SCHEMBL1782448 0.75 HTR7 (0.50) KDM4EMAPTSMN1; SMN2LMNANFKB1
SCHEMBL24315366 0.73 CYP2A6 (0.58) TAAR1ESR2MAOBALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE SAN-APRO LIMITED (JP) 2009-06-25 US disclosed
EP-1953139-A1 METHOD FOR PRODUCING FLUORINATED SULFONIUM ALKYLFLUOROPHOSPHATE San-Apro Ltd. (JP) 2008-08-06 EP 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-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE ARSA, SCO2, DOHH TAAR1 646/4885ESR2 1137/4885MAOB 2031/4885

“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.