SCHEMBL6172014

SCHEMBL6172014

CCOC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
PDE4D Q08499 1/20 0.57
POLB P06746 2/20 0.54
KMT2A Q03164 3/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 3/20 0.52
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GABRA2 P47869 1/20 0.46

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
SCHEMBL6174959 0.90 TP53 (0.62) TP53PDE4DPOLBKMT2AUSP2
SCHEMBL7056604 0.90 ALDH1A1 (0.54) TP53PDE4DKMT2AHTTSMN1; SMN2
SCHEMBL1877549 0.86 TP53 (0.63) TP53PDE4DPOLBKMT2ASMN1; SMN2
SCHEMBL6173677 0.84 RPA1 (0.62) TP53KMT2AUSP2HTTSMN1; SMN2
SCHEMBL4703884 0.84 PDE4D (0.62) TP53PDE4DPOLBKMT2ASMN1; SMN2
SCHEMBL1873573 0.83 PDE4D (0.61) TP53PDE4DPOLBKMT2AUSP2
SCHEMBL9054421 0.82 CA9 (0.65) TP53PDE4DFAAH
SCHEMBL6493037 0.82 RPA1 (0.55) TP53KMT2AHTTMAPTGAA
SCHEMBL9350647 0.80 CA9 (0.71) TP53FAAH
SCHEMBL6176728 0.79 PDE4D (0.56) TP53PDE4DPOLBKMT2AUSP2

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 TP53 4728/4885PDE4D 3388/4885POLB 3326/4885

“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.