SCHEMBL4864614

SCHEMBL4864614

CC(C(=O)OBr)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL775818 0.78 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL21623615 0.77 MMP8 (0.31)
SCHEMBL7434659 0.76 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL13798757 0.76 SMN1; SMN2 (0.50) SMN1; SMN2
SCHEMBL3147895 0.76 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL12027691 0.74 CA1 (0.39) SMN1; SMN2
SCHEMBL6633558 0.74 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL29187423 0.74 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1629957 0.74 DPP4 (0.32) SMN1; SMN2
SCHEMBL13537883 0.74 TSHR (0.43) SMN1; SMN2

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
US-7439266-B2 Malononitrile compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
US-20060004092-A1 Malononitrile compound and use thereof pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-05 US disclosed
WO-2004020399-A1 MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-11 WO disclosed
US-6066633-A PREVENT TISSUE DEGRADATION ADIR ET COMPAGNIE (FR) 2000-05-23 US disclosed
US-4906635-A Carboxyalkyl dipeptides as antiglaucoma agents SCHERING CORPORATION (US) 1990-03-06 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 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-20060004092-A1 Malononitrile compound and use thereof pesticides ME1, MAL2, ME3 SMN1; SMN2 1749/4885

“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.