SCHEMBL6030486

SCHEMBL6030486

CCOC(C(=O)O)N1Cc2ccc(N3CCCC3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
ITGA2 P17301 1/20 0.42
ALOX15 P16050 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACACB O00763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
EGFR P00533 1/20 0.36
KIF11 P52732 2/20 0.35
TSHR P16473 1/20 0.35
XIAP P98170 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL6030079 0.99 ITGB3 (0.41) ITGB3ITGA2BITGA2ALOX15MAPT
SCHEMBL6078265 0.82 ALOX15 (0.41) ALOX15MAPTMEN1KMT2AALDH1A1
SCHEMBL6079251 0.81 MEN1 (0.45) ALOX15MAPTMEN1KMT2AALDH1A1
SCHEMBL6077701 0.76 MAPT (0.43) ITGB3ITGA2BALOX15MAPTMEN1
SCHEMBL6079576 0.74 F10 (0.38) ITGB3ITGA2BITGA2MAPT
SCHEMBL6079587 0.74 F10 (0.38) ITGB3ITGA2BITGA2MAPT
Acetic Acid SCHEMBL6078894 0.74 F10 (0.38) ITGB3ITGA2BITGA2
Hydrochloric Acid SCHEMBL6078149 0.74 F10 (0.38) ITGB3ITGA2BITGA2MAPT
SCHEMBL6077932 0.74 F10 (0.38) ITGB3ITGA2BITGA2MAPT
Hydrochloric Acid SCHEMBL6029994 0.74 F10 (0.38) ITGB3ITGA2BITGA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGB3 1106/4885ITGA2B 350/4885ITGA2 419/4885

“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.