SCHEMBL5234777

SCHEMBL5234777

CS(=O)(=O)OCCOc1cc(F)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.33
PTGS2 P35354 2/20 0.32
S1PR4 O95977 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
FFAR1 O14842 1/20 0.30
SCN2B O60939 1/20 0.30
SCN1B Q07699 1/20 0.30
KIT P10721 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
SCHEMBL5239671 0.91 KDM4E (0.47) SCN9AKDM4EUSP2ALDH1A1LMNA
SCHEMBL5236209 0.91 KDM4E (0.52) SCN9AKDM4EUSP2ALDH1A1LMNA
SCHEMBL6272240 0.77 L3MBTL1 (0.53) KDM4EALDH1A1
SCHEMBL3924296 0.73 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3750956 0.72 PTGS2 (0.37) SCN9AKDM4EALDH1A1TSHRPTGS2
SCHEMBL27176755 0.72 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL31712314 0.72 S1PR4 (0.57) ALDH1A1LMNAPTGS2S1PR4
SCHEMBL5232827 0.70 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11445546 0.69 CYP1A2 (0.50) KDM4EUSP2ALDH1A1TSHRCA12
SCHEMBL5235238 0.69 ALOX5AP (0.38) SCN9AALDH1A1TSHRPTGS2

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 SCN9A 904/4885KDM4E 3661/4885USP2 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.