Sugi Predict

Sugi Predict / Compounds / SCHEMBL3521667

SCHEMBL3521667

SCHEMBL3521667

CCOC(=O)C(C)OCC#Cc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ CFTR P13569 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL3524927 0.83 MAOB (0.36) POLBGAAALDH1A1MAPTATM
SCHEMBL3529189 0.73 MAPT (0.42) POLBGAAALDH1A1L3MBTL1IDH1
SCHEMBL3527422 0.73 CFTR (0.43) POLBCFTRALDH1A1L3MBTL1KDM4E
SCHEMBL3531315 0.73 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL3526109 0.71 CFTR (0.46) CFTRGAAALDH1A1L3MBTL1KDM4E
SCHEMBL6073339 0.71 CFTR (0.44) POLBCFTRGAAALDH1A1L3MBTL1
SCHEMBL3527628 0.70 KDM4E (0.44) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3529290 0.69 CFTR (0.44) CFTRGAAALDH1A1KDM4EHPGD
SCHEMBL22262398 0.69 PDE2A (0.41) CFTRGAAALDH1A1L3MBTL1KDM4E
SCHEMBL29660014 0.69 PDE2A (0.41) CFTRGAAALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 — — US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 — — US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 — — US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 — — 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP POLB 4410/4885CFTR 4058/4885GAA 772/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG POLB 3181/4885CFTR 2616/4885GAA 1440/4885

“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.