Sugi Predict

Sugi Predict / Compounds / SCHEMBL1241896

SCHEMBL1241896

SCHEMBL1241896

CC(C)C(NC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ ADH1B P00325 1/20 0.43
▸ ADH1C P00326 1/20 0.43
▸ ADH1A P07327 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MMP2 P08253 4/20 0.37
▸ MMP3 P08254 4/20 0.37
▸ MMP13 P45452 4/20 0.37
▸ MMP1 P03956 3/20 0.37
▸ MMP7 P09237 3/20 0.37
▸ MMP9 P14780 3/20 0.37
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ PLA2G5 P39877 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ FPR2 P25090 1/20 0.34

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
SCHEMBL1241894 1.00 ALDH1A1 (0.46) ALDH1A1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19932771 1.00 ALDH1A1 (0.46) ALDH1A1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL28215303 0.98 ALDH1A1 (0.44) ALDH1A1ADH1BADH1CADH1ASMN1; SMN2
Hydrochloric Acid SCHEMBL31244435 0.98 ALDH1A1 (0.44) ALDH1A1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL18823490 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53
SCHEMBL18712598 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53
SCHEMBL9006398 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53
SCHEMBL22166168 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53
SCHEMBL17313812 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53
SCHEMBL27258601 0.83 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 — — US claimed
WO-2014200882-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 — — WO claimed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 — — US claimed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 — — US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 — — US disclosed
EP-3309157-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2019-09-04 — — EP disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 — — CN disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 — — US disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 — — US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 — — US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 — — US disclosed
US-5246960-A Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1993-09-21 — — US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 — — EP disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 — — US disclosed
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 — — US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 — — US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885ADH1B 181/4885ADH1C 220/4885
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A ALDH1A1 381/4885ADH1B 386/4885ADH1C 310/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP ALDH1A1 3849/4885ADH1B 4198/4885ADH1C 3900/4885

“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.