SCHEMBL2733407

SCHEMBL2733407

CC(C)c1ccc(OC(=O)NOC(C(=O)O)C(O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
XBP1 P17861 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
Cadaverine Tartrate SCHEMBL2733405 0.76 PRSS1 (0.48) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL11625128 0.72 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL25825561 0.71 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL5699582 0.69 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL11713639 0.69 PPARG (0.51) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL28300545 0.68 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
Hydrochloric Acid SCHEMBL11848676 0.68 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL2729152 0.68 PRSS1 (0.55) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
Hydrogen Peroxide SCHEMBL9578945 0.68 LMNA (0.57) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR
SCHEMBL5933312 0.68 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EPRSS1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096316-A1 Novel Method for Preparation of Bisnorcymerine and Salts Thereof QR PHARMA, INC. 2013-04-18 US disclosed
WO-2012058031-A2 NOVEL METHOD FOR PREPARATION OF BISNORCYMERINE AND SALTS THEREOF QR PHARMA, INC. (US) 2012-05-03 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-20130096316-A1 Novel Method for Preparation of Bisnorcymerine and Salts Thereof PHOSPHO1, CBS, COASY SMN1; SMN2 4422/4885ALDH1A1 4111/4885KDM4E 3909/4885

“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.