SCHEMBL6172273

SCHEMBL6172273

COC(=O)Nc1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
NR3C2 P08235 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
PDE4D Q08499 1/20 0.41
RPA1 P27694 1/20 0.41
F10 P00742 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7056604 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL6173677 0.78 RPA1 (0.62) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL6174660 0.77 CA1 (0.53) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL6173412 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL6172278 0.77 NR3C2 (0.45) ALDH1A1MAPTNR3C2MEN1KMT2A
SCHEMBL6173564 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL6172014 0.74 TP53 (0.59) ALDH1A1L3MBTL1MAPTGAARECQL
SCHEMBL5698596 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTRECQLLMNA
SCHEMBL6493037 0.73 RPA1 (0.55) ALDH1A1L3MBTL1MAPTGAATHRB
SCHEMBL1873573 0.69 PDE4D (0.61) ALDH1A1L3MBTL1MAPTRECQLLMNA

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-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 ALDH1A1 1329/4885L3MBTL1 2167/4885MAPT 4818/4885

“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.