SCHEMBL3058381

SCHEMBL3058381

CCOC(=O)CN(C(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.36
ERBB3 P21860 1/20 0.36
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
STAT5B P51692 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
F2 P00734 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL22264784 0.90 MTNR1A (0.39) RIPK1LMNAALDH1A1KDM4EMTNR1A
SCHEMBL2919371 0.86 MTNR1A (0.40) RIPK1LMNAALDH1A1KDM4EMTNR1A
SCHEMBL1600710 0.85 HDAC8 (0.41) SMN1; SMN2RIPK1LMNATSHRALDH1A1
SCHEMBL28516576 0.85 SMN1; SMN2 (0.39) SMN1; SMN2EGFRERBB3RIPK1LMNA
SCHEMBL2928884 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL10401421 0.81 MTNR1A (0.40) RIPK1LMNATSHRALDH1A1MAPT
SCHEMBL29241474 0.80 S100B (0.42) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL30877124 0.79 MTNR1A (0.39) RIPK1TSHRMTNR1AMTNR1BAAK1
SCHEMBL12953141 0.78 ALOX5 (0.52) SMN1; SMN2GAAL3MBTL1
SCHEMBL4832575 0.78 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRALDH1A1GAA

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-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 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 (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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 SMN1; SMN2 3459/4885EGFR 1282/4885ERBB3 642/4885

“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.