SCHEMBL1027576

SCHEMBL1027576

C=C1C[C@H](C(=O)O)[C@@H](C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 3/20 0.64
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PPM1B O75688 1/20 0.47
GRM4 Q14833 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1026891 1.00 HTT (0.64) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL10904584 0.85 ALDH1A1 (0.71) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL1030181 0.84 POLB (0.51) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL1030180 0.84 POLB (0.51) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL1030978 0.84 RAB9A (0.51) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL10768094 0.81 RAB9A (0.71) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL1030070 0.80 KMT2A (0.47) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL727184 0.78 ALDH1A1 (0.84) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL1026892 0.78 RAB9A (0.46) HTTRAB9APOLBALDH1A1LMNA
SCHEMBL10903628 0.77 POLB (0.58) HTTRAB9APOLBALDH1A1LMNA

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 HTT 4761/4885RAB9A 2494/4885POLB 3769/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI HTT 4761/4885RAB9A 2494/4885POLB 3769/4885

“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.