Sugi Predict

Sugi Predict / Compounds / SCHEMBL5735211

SCHEMBL5735211

SCHEMBL5735211

CS(=O)(=O)OCCCC#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.39
▸ KDM4E B2RXH2 6/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MGLL Q99685 2/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C9 P11712 2/20 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
SCHEMBL5736335 0.90 FFAR4 (0.35) KCNH2FFAR4
SCHEMBL5736334 0.90 FFAR4 (0.35) KCNH2FFAR4
SCHEMBL5733991 0.85 KCNH2 (0.37) KCNH2FFAR4KDM4EALDH1A1HPGD
SCHEMBL5737559 0.80 KCNH2 (0.46) KCNH2FFAR4KDM4ELMNAHTT
SCHEMBL5736588 0.80 KCNH2 (0.46) KCNH2KDM4ELMNAHTTEPHX2
SCHEMBL5736441 0.78 KCNH2 (0.44) KCNH2KDM4ELMNAHTTEPHX2
SCHEMBL5737999 0.75 KCNH2 (0.50) KCNH2FFAR4KDM4ELMNAHTT
SCHEMBL5737143 0.74 KCNH2 (0.41) KCNH2FFAR4EPHX2
SCHEMBL5735242 0.74 LSS (0.43) KCNH2FFAR4KDM4ELMNAHTT
SCHEMBL11477234 0.72 PTPN2 (0.37) KDM4ELMNAALDH1A1TSHR

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
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 — — EP 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 1400/4885FFAR4 1018/4885KDM4E 4187/4885

“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.