SCHEMBL5736588

SCHEMBL5736588

CS(=O)(=O)OCCCc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
HTR6 P50406 2/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MGLL Q99685 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCHR1 Q99705 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5736441 0.96 KCNH2 (0.44) KCNH2HTR6EPHX2ALDH1A1HPGD
SCHEMBL5733978 0.84 OXER1 (0.35) KCNH2HTR6ALDH1A1KDM4ELMNA
SCHEMBL5735211 0.80 KCNH2 (0.42) KCNH2EPHX2ALDH1A1HPGDKDM4E
SCHEMBL5737044 0.78 KCNH2 (0.51) KCNH2EPHX2ALDH1A1HPGDKDM4E
SCHEMBL8574884 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATSHR
SCHEMBL5735700 0.76 KCNH2 (0.49) KCNH2EPHX2ALDH1A1HPGDKDM4E
SCHEMBL5733991 0.75 KCNH2 (0.37) KCNH2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7083302 0.72 KCNH2 (0.56) KCNH2EPHX2ALDH1A1HPGDKDM4E
SCHEMBL3785456 0.72 KCNH2 (0.56) KCNH2HTR6EPHX2ALDH1A1HPGD
SCHEMBL6956593 0.72 KCNH2 (0.56) KCNH2HTR6EPHX2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
CN-1245385-C indole and indoline derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1733723-A Indole and dihydroindole derivatives HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1476432-A indole and indoline derivatives - 2004-02-18 CN disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 KCNH2 1400/4885HTR6 2870/4885EPHX2 2227/4885

“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.