SCHEMBL3899800

SCHEMBL3899800

CS(=O)(=O)OCCCc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.43
HTR2C P28335 9/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOB P27338 1/20 0.40
KCNH2 Q12809 3/20 0.40
CA2 P00918 1/20 0.40
DAO P14920 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DRD2 P14416 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL3605685 0.90 HTR2A (0.46) HTR2AHTR2CIDO1AGXTMAOB
SCHEMBL10791708 0.85 HTR2A (0.42) HTR2AHTR2CIDO1AGXTMAOB
SCHEMBL5232827 0.82 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3578553 0.81 LMNA (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29263722 0.78 PSEN1 (0.43) HTR2AHTR2CKDM4EUSP2ALDH1A1
SCHEMBL8574884 0.77 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5637174 0.76 HTR2A (0.55) HTR2A
SCHEMBL3702253 0.76 MPO (0.62) HTR2A
SCHEMBL15137118 0.75 BMP1 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20187418 0.75 NR3C1 (0.39) HTR2AHTR2CKCNH2PTGS1DRD2

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 HTR2A 220/4885HTR2C 423/4885KDM4E 2795/4885

“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.