Sugi Predict

Sugi Predict / Compounds / SCHEMBL5132380

SCHEMBL5132380

SCHEMBL5132380

CC1=C(c2ccc(C(F)(F)F)cc2)c2ccc(CCCCN3CCC(O)CC3)cc2S1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ ARG1 P05089 1/20 0.39
▸ ARG2 P78540 1/20 0.39
▸ KCNH2 Q12809 3/20 0.37
▸ CTSK P43235 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SLC6A5 Q9Y345 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5132703 0.97 ARG1 (0.41) FPR2SPHK1ARG1ARG2KCNH2
SCHEMBL5133388 0.89 HRH3 (0.45) FPR2KCNH2HRH1HRH3SIGMAR1
SCHEMBL5133263 0.86 SIGMAR1 (0.45) FPR2KCNH2HRH1HRH3SIGMAR1
SCHEMBL5131094 0.79 MAOB (0.39) P2RY14
SCHEMBL5132869 0.79 MAOB (0.39) P2RY14
SCHEMBL5133980 0.77 PSEN1 (0.36) HRH3P2RY14S1PR1S1PR3SLC6A5
SCHEMBL5133406 0.76 PSEN1 (0.37) KCNH2S1PR1S1PR3
SCHEMBL6870819 0.76 HDAC1 (0.33) KCNH2S1PR1S1PR3SLC6A5
SCHEMBL5131353 0.75 KIF11 (0.32) —
SCHEMBL5133365 0.75 LSS (0.39) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 — — US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 — — US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 — — US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 — — EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 — — US 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 FPR2 3552/4885SPHK1 1518/4885ARG1 4549/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 FPR2 2422/4885SPHK1 1940/4885ARG1 4272/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 FPR2 2422/4885SPHK1 1940/4885ARG1 4272/4885

“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.