SCHEMBL6077997

SCHEMBL6077997

CCO[C@@H](C(=O)NCc1ccc(C(=N)N)cc1NCc1ccccc1F)N1Cc2ccc(N3CCCC3)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
SLC1A2 P43004 1/20 0.33
CACNA1G O43497 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA2 P17301 1/20 0.32
LMNA P02545 3/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KLKB1 P03952 2/20 0.31
PPARG P37231 4/20 0.31

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
SCHEMBL6077985 1.00 F10 (0.38) F10SLC1A2CACNA1GITGB3ITGA2B
SCHEMBL6030857 0.99 F10 (0.38) F10SLC1A2CACNA1GITGB3ITGA2B
SCHEMBL6030868 0.99 F10 (0.38) F10SLC1A2CACNA1GITGB3ITGA2B
Acetic Acid SCHEMBL6079078 0.98 F10 (0.38) F10SLC1A2CACNA1GITGB3ITGA2B
Acetic Acid SCHEMBL6076966 0.97 F10 (0.38) F10SLC1A2CACNA1GITGB3ITGA2B
SCHEMBL6079576 0.90 F10 (0.38) F10ITGB3ITGA2BITGA2KLKB1
SCHEMBL6079587 0.90 F10 (0.38) F10ITGB3ITGA2BITGA2KLKB1
SCHEMBL6077932 0.90 F10 (0.38) F10ITGB3ITGA2BITGA2KLKB1
Hydrochloric Acid SCHEMBL6078149 0.90 F10 (0.38) F10ITGB3ITGA2BITGA2KLKB1
Hydrochloric Acid SCHEMBL6029994 0.90 F10 (0.38) F10ITGB3ITGA2BITGA2KLKB1

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 2 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 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 F10 8/4885SLC1A2 2506/4885CACNA1G 1711/4885

“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.