Sugi Predict

Sugi Predict / Compounds / SCHEMBL6028574

SCHEMBL6028574

SCHEMBL6028574

CCO[C@@H](C(=O)NCc1ccc(C(=N)NO)c(F)c1)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.37
▸ MAPT P10636 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ MT-CO2 P00403 2/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RORA P35398 1/20 0.32

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
SCHEMBL6078928 1.00 F2 (0.37) F2MAPTPDE10ACARM1PRMT6
SCHEMBL6028717 0.91 KMT2A (0.34) MAPTKDM4EALDH1A1HPGDOPRK1
SCHEMBL6028719 0.91 KMT2A (0.34) MAPTKDM4EALDH1A1HPGDOPRK1
Acetic Acid SCHEMBL6078293 0.90 F2 (0.44) F2MAPTPDE10ACARM1PRMT6
SCHEMBL6029310 0.85 OPRK1 (0.34) MAPTKDM4EALDH1A1OPRK1MEN1
SCHEMBL6029315 0.85 OPRK1 (0.34) MAPTKDM4EALDH1A1OPRK1MEN1
SCHEMBL6028232 0.84 F10 (0.36) F2MAPTPDE10AKDM4EALDH1A1
SCHEMBL6028237 0.84 F10 (0.36) F2MAPTPDE10AKDM4EALDH1A1
Acetic Acid SCHEMBL6078703 0.82 F7 (0.35) F2KDM4EALDH1A1HPGDOPRK1
Acetic Acid SCHEMBL6078758 0.79 F2 (0.42) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 — — US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 — — US claimed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 — — EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 — — US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 — — 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 F2 7/4885MAPT 4778/4885PDE10A 914/4885

“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.