SCHEMBL5451366

SCHEMBL5451366

Cc1ccc(NNC(=O)CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
GAA P10253 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
ALOX5 P09917 2/20 0.49
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
FFAR1 O14842 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 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
SCHEMBL21055737 0.82 ALOX5 (0.63) PTGS2GAASMN1; SMN2ALOX5LMNA
SCHEMBL11592594 0.81 PTGS2 (0.66) PTGS2GAASMN1; SMN2HTTPOLB
SCHEMBL9190297 0.81 GAA (0.53) PTGS2GAASMN1; SMN2HTTPOLB
SCHEMBL5444741 0.81 GAA (0.68) GAASMN1; SMN2ALOX5LMNAALDH1A1
SCHEMBL5455720 0.81 GAA (0.61) GAASMN1; SMN2ALOX5LMNAALDH1A1
SCHEMBL5446840 0.80 PTGS2 (0.59) PTGS2GAASMN1; SMN2HTTPOLB
Hydrochloric Acid SCHEMBL28067312 0.80 ALOX5 (0.61) PTGS2GAASMN1; SMN2ALOX5LMNA
SCHEMBL8141141 0.80 POLB (0.80) GAASMN1; SMN2HTTPOLBALDH1A1
SCHEMBL28679359 0.79 ALOX5 (0.71) PTGS2GAASMN1; SMN2HTTPOLB
SCHEMBL15557417 0.79 GAA (0.63) PTGS2GAASMN1; SMN2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 PTGS2 617/4885GAA 3492/4885SMN1; SMN2 3694/4885

“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.