Sugi Predict

Sugi Predict / Compounds / SCHEMBL874440

SCHEMBL874440

SCHEMBL874440

CC=CC(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RIPK1 Q13546 2/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ IDH1 O75874 6/20 0.37
▸ AVPR1A P37288 1/20 0.36
▸ GLS O94925 2/20 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
SCHEMBL5371801 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL28838633 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5166307 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5371795 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874439 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL23298241 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL874438 1.00 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6951727 0.85 NPC1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3117948 0.85 ALDH1A1 (0.43) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6950966 0.85 NPC1 (0.43) ALDH1A1GAAHTTNPC1LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 — — EP disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 — — US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 — — US disclosed
EP-2619208-B1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2016-11-09 — — EP disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 — — US disclosed
EP-2828262-A1 IMIDAZOTRIAZINONE COMPOUNDS Forum Pharmaceuticals Inc. (US) 2015-01-28 — — EP disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 — — US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 — — US disclosed
EP-1791599-A1 COMBINATION OF A 5-HT(1) RECEPTOR AGONIST AND AN ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF MIGRAINE Pfizer Limited (GB) 2007-06-06 — — EP disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 — — US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 — — EP disclosed
WO-2006027681-A1 COMBINATION OF A 5-HT(1) RECEPTOR AGONIST AND AN ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF MIGRAINE PFIZER LIMITED (GB) 2006-03-16 — — WO disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 — — US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 — — US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
US-5668164-A Process for synthesis of chiral cis-and trans-3-amino-4 substituted pyrrolidine compounds ABBOTT LABORATORIES (US) 1997-09-16 — — US disclosed
US-5618949-A Process for synthesis of chiral cis- and trans-3-amino-4-substituted pyrrolidine compounds ABBOTT LABORATORIES (US) 1997-04-08 — — 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 (7 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ALDH1A1 1484/4885GAA 2329/4885HTT 1941/4885
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 ALDH1A1 504/4885GAA 355/4885HTT 1923/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 ALDH1A1 504/4885GAA 355/4885HTT 1923/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885GAA 2133/4885HTT 2001/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A ALDH1A1 779/4885GAA 678/4885HTT 1742/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885GAA 2307/4885HTT 2005/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A ALDH1A1 779/4885GAA 678/4885HTT 1742/4885

“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.