Sugi Predict

Sugi Predict / Compounds / SCHEMBL133449

SCHEMBL133449

SCHEMBL133449

N#CCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.59
▸ GSK3B P49841 2/20 0.59
▸ CES2 O00748 2/20 0.59
▸ CES1 P23141 2/20 0.59
▸ MMP1 P03956 1/20 0.51
▸ HSD11B1 P28845 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ PDPK1 O15530 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42

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
SCHEMBL9864486 0.92 PTPN1 (0.51) PTPN1GSK3BCES2CES1MMP1
SCHEMBL30737605 0.85 LSS (0.60) HDAC1
SCHEMBL395103 0.84 GSK3B (0.48) PTPN1GSK3BCES1ALDH1A1MAPT
SCHEMBL393300 0.81 RAB9A (0.56) HDAC1SRD5A2ALDH1A1MAPT
SCHEMBL4306951 0.81 CES2 (0.59) PTPN1GSK3BCES2CES1HDAC8
SCHEMBL23263974 0.80 DHODH (0.50) PTPN1GSK3BCES2CES1
SCHEMBL7343509 0.80 HDAC1 (0.57) PTPN1GSK3BCES2CES1MMP1
SCHEMBL139194 0.80 CES2 (0.64) CES2SRD5A2ALDH1A1
SCHEMBL30951019 0.80 CES2 (0.64) CES2SRD5A2ALDH1A1
SCHEMBL133680 0.79 NPC1 (0.55) PTPN1GSK3BCES2CES1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584259-A1 CK1ALPHA AND DUAL CK1ALPHA / GSPT1 DEGRADING COMPOUNDS Innovo Therapeutics, Inc. (US) 2025-07-16 — — EP disclosed
CN-118812500-A Substituted aryl diketone nitrile compound with herbicidal activity, preparation method and application 东北农业大学 2024-10-22 — — CN disclosed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
US-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. 2024-05-16 — — US disclosed
WO-2024054832-A1 CK1α AND DUAL CK1α / GSPT1 DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-03-14 — — WO disclosed
CN-116802181-A Triazolopyridine compounds as kinase inhibitors 百时美施贵宝公司 2023-09-22 — — CN disclosed
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 — — CN disclosed
CN-113527141-B Synthetic method of spiro [2,5] octane derivative 江西省科学院应用化学研究所 2023-04-14 — — CN disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 — — US disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 — — US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 — — US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 — — US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 — — US disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — WO disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 — — US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 — — EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 — — WO disclosed
US-5453514-A Diabetes YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-09-26 — — US disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 — — US disclosed
EP-0273602-A1 3-Cyano-4-arylthiophenes ELI LILLY AND COMPANY (US) 1988-07-06 — — 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 (4 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-20240158370-A1 CK1 alpha AND DUAL CK1 alpha / GSPT1 DEGRADING COMPOUNDS CKS1B, CKS2, MARK1 PTPN1 1897/4885GSK3B 51/4885CES2 1443/4885
US-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB PTPN1 3149/4885GSK3B 605/4885CES2 1184/4885
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA PTPN1 1627/4885GSK3B 3957/4885CES2 1487/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD PTPN1 1651/4885GSK3B 1991/4885CES2 3291/4885

“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.