Sugi Predict

Sugi Predict / Compounds / SCHEMBL2558255

SCHEMBL2558255

SCHEMBL2558255

O=CC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.71
▸ GAA P10253 1/20 0.71
▸ TSHR P16473 1/20 0.67
▸ EPHX1 P07099 1/20 0.60
▸ DPP4 P27487 6/20 0.55
▸ DPP7 Q9UHL4 6/20 0.55
▸ KCNH2 Q12809 3/20 0.55
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TLR4 O00206 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL3197917 1.00 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL2558257 1.00 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.90 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.90 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.90 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.88 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL17499990 0.88 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL17499991 0.88 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL6245656 0.88 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL1441541 0.87 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085147-A Polymer, preparation method thereof, all-solid-state polymer-inorganic ceramic composite electrolyte containing polymer and lithium battery 博研嘉信(北京)科技有限公司 2024-05-28 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 — — US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 — — US disclosed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 — — US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 — — US disclosed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 — — CN disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 — — US disclosed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 — — EP disclosed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 — — WO disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 — — EP disclosed
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 — — US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 — — US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 — — EP 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ALDH1A1 1408/4885GAA 3405/4885TSHR 251/4885
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 ALDH1A1 113/4885GAA 782/4885TSHR 1682/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 ALDH1A1 2658/4885GAA 4346/4885TSHR 2647/4885

“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.