SCHEMBL685457

SCHEMBL685457

C[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
F2 P00734 3/20 0.47
KLKB1 P03952 3/20 0.47
PLAT P00750 1/20 0.45

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
SCHEMBL4756703 0.84 DPP4 (0.50) F10GAAKMT2AF2KLKB1
SCHEMBL3172775 0.84 DPP4 (0.50) F10GAAKMT2AF2KLKB1
SCHEMBL24322499 0.84 DPP4 (0.50) F10GAAKMT2AF2KLKB1
Hydrochloric Acid SCHEMBL3166514 0.83 DPP4 (0.49) F10GAAKMT2AF2KLKB1
Hydrochloric Acid SCHEMBL3166507 0.83 DPP4 (0.49) F10GAAKMT2AF2KLKB1
SCHEMBL24324150 0.82 F10 (0.56) F10F2KLKB1PLAT
SCHEMBL4495030 0.80 F10 (0.57) F10F2KLKB1PLAT
SCHEMBL24322372 0.77 F10 (0.54) F10F2KLKB1PLAT
SCHEMBL10958361 0.76 ACE (0.49) KMT2A
SCHEMBL24322700 0.76 F10 (0.53) F10F2KLKB1PLAT

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
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
EP-1567519-B1 CRYSTALLINE DERIVATIVES OF 2-(5-CHLOROTHIEN-2-YL)-N-((3S)-1((1S)-1-METHYL-2-MORPHOLIN-4-YL)-2-OXOETHYL)-2-OXOPYRROLIDIN-3-YL)ETHENSULFONAMIDE GLAXO GROUP LTD (GB) 2007-09-19 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 (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-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 F10 192/4885GAA 3195/4885KMT2A 4073/4885
US-20080279845-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 F10 472/4885GAA 1706/4885KMT2A 3261/4885
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR MPL, P2RY4, P2RY1 F10 472/4885GAA 1706/4885KMT2A 3261/4885

“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.