SCHEMBL1026317

SCHEMBL1026317

CCOC(=O)[C@H]1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL1031920 0.88 POLB (0.48) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL1031363 0.87 POLB (0.47) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL1030074 0.83 KMT2A (0.48) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL1030070 0.82 KMT2A (0.47) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL1028378 0.82 MAPT (0.51) NPSR1ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL31616353 0.80 KDM4E (0.48) POLBALDH1A1RAB9ATDP1HTT
SCHEMBL24738011 0.79 POLB (0.57) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL24738010 0.79 POLB (0.57) POLBNPSR1ALDH1A1RAB9ATDP1
SCHEMBL6065732 0.76 F10 (0.51) POLBNPSR1ALDH1A1TDP1HTT
SCHEMBL4445653 0.76 F10 (0.51) POLBNPSR1ALDH1A1TDP1HTT

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
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 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 (2 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI POLB 3769/4885NPSR1 1868/4885ALDH1A1 1180/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI POLB 3769/4885NPSR1 1868/4885ALDH1A1 1180/4885

“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.