SCHEMBL5729903

SCHEMBL5729903

CCOC(CN(CC(=O)O)C(=O)OCc1ccccc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FFAR1 O14842 1/20 0.39
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL6079323 0.90 PIN1 (0.42) ALDH1A1CCR6PAX8L3MBTL1LMNA
SCHEMBL3075543 0.89 ABCB1 (0.46) ALDH1A1CCR6PAX8L3MBTL1LMNA
SCHEMBL1850525 0.86 ALDH1A1 (0.45) ALDH1A1CCR6PAX8L3MBTL1KMT2A
SCHEMBL6581785 0.83 ALDH1A1 (0.47) ALDH1A1CCR6PAX8L3MBTL1HSD17B10
SCHEMBL11298253 0.82 ALDH1A1 (0.51) ALDH1A1CCR6PAX8L3MBTL1LMNA
SCHEMBL801192 0.81 CCR6 (0.54) ALDH1A1CCR6PAX8L3MBTL1LMNA
SCHEMBL11071581 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL13494184 0.80 ALDH1A1 (0.44) ALDH1A1CCR6PAX8L3MBTL1KMT2A
SCHEMBL1773629 0.80 SIGMAR1 (0.43) ALDH1A1L3MBTL1KMT2A
SCHEMBL13049197 0.79 CCR6 (0.50) ALDH1A1CCR6PAX8L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 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 (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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 ALDH1A1 2304/4885CCR6 4205/4885PAX8 3331/4885

“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.