SCHEMBL7078577

SCHEMBL7078577

CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ PRCP P42785 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ CMA1 P23946 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PREP P48147 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL11448912 1.00 CTRB1 (0.55) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL24322559 0.91 CTRB1 (0.58) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL1372348 0.90 CTRB1 (0.57) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL1372342 0.90 CTRB1 (0.57) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL5859001 0.89 CTRB1 (0.56) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL10706654 0.89 CTRB1 (0.61) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11459575 0.89 CTRB1 (0.61) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL27280340 0.88 CTRB1 (0.60) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL10784995 0.87 CTRB1 (0.54) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL11450738 0.86 CTRB1 (0.64) CTRB1TSHRL3MBTL1KDM4ELMNA

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-6562977-B2 For use in the synthesis of peptides and/or for the manufacture of pharmaceutically active substances or corresponding intermediates HOFFMANN-LA ROCHE INC. 2003-05-13 — — US disclosed
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 — — EP disclosed
US-6489479-B1 THE PRESENT INVENTION IS CONCERNED WITH AN IMPROVED PROCESS FOR THE MANUFACTURE OF MIXED ANHYDRIDES. THE PROCESS COMPRISES ADDING AN ADJUVANT BASE TO A MIXTURE OF ACID AND REACTIVE ACID DERIVATIVE. IT IS ESPECIALLY SUITABLE FOR USE IN THE HOFFMAN-LA ROCHE INC. 2002-12-03 — — US disclosed
US-20020077481-A1 Process for the preparation of mixed anhydrides KARPF MARTIN (CH) 2002-06-20 — — US disclosed
EP-0847994-A1 Process for the preparation of mixed anhydrides F. HOFFMANN-LA ROCHE AG (CH) 1998-06-17 — — EP disclosed
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 — — 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-20020077481-A1 Process for the preparation of mixed anhydrides CA1, CA14, CA12 CTRB1 1840/4885TSHR 1924/4885L3MBTL1 4880/4885

“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.

Send feedback