SCHEMBL5236209

SCHEMBL5236209

CS(=O)(=O)OCCCCOc1cc(F)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
SCN9A Q15858 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FFAR1 O14842 1/20 0.32
HTT P42858 1/20 0.32
CYP19A1 P11511 2/20 0.32
PTGS2 P35354 1/20 0.31
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL5239671 0.97 KDM4E (0.47) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL5234777 0.91 SCN9A (0.40) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL5232827 0.76 KDM4E (0.47) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL5234109 0.72 LOX (0.41) KDM4EALDH1A1LMNASCN9AL3MBTL1
Busulfan SCHEMBL4373 0.72 TSHR (1.00) KDM4ETSHRUSP2ALDH1A1LMNA
Busulfan SCHEMBL4764696 0.72 TSHR (1.00) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL3750956 0.71 PTGS2 (0.37) KDM4ETSHRALDH1A1SCN9APTGS2
SCHEMBL4631786 0.71 LMNA (0.54) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL27176755 0.71 KDM4E (0.43) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL5236650 0.70 HTR2A (0.37) ALDH1A1LMNASCN9AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C KDM4E 3661/4885TSHR 308/4885USP2 4056/4885

“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.