SCHEMBL6023947

SCHEMBL6023947

CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.53
TAS1R1 Q7RTX1 6/20 0.53
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.49
BMP1 P13497 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
ALPL P05186 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP12 P39900 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
SCHEMBL6024347 0.95 BMP1 (0.49) TAS1R3TAS1R1HTTTSHRBMP1
SCHEMBL6023887 0.93 BMP1 (0.47) TAS1R3TAS1R1HTTTSHRBMP1
SCHEMBL6024553 0.86 TAS1R3 (0.52) TAS1R3TAS1R1BMP1MMP12
SCHEMBL6025200 0.85 BMP1 (0.47) TAS1R3TAS1R1BMP1HPGDMMP12
SCHEMBL17685459 0.84 BMP1 (0.47) TAS1R3TAS1R1HTTBMP1MMP12
SCHEMBL1597606 0.84 BMP1 (0.42) TAS1R3TAS1R1TSHRBMP1SMN1; SMN2
SCHEMBL1597613 0.84 BMP1 (0.42) TAS1R3TAS1R1TSHRBMP1SMN1; SMN2
SCHEMBL1595759 0.84 HPGD (0.48) TAS1R3TAS1R1BMP1SMN1; SMN2HSD17B10
SCHEMBL11889622 0.82 BMP1 (0.57) TAS1R3TAS1R1TSHRBMP1SMN1; SMN2
SCHEMBL1595762 0.81 BMP1 (0.44) TAS1R3TAS1R1TSHRBMP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP claimed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US claimed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP disclosed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 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-20040087585-A1 Peptide deformylase inhibitors PDF, DPEP1, PEPD TAS1R3 3429/4885TAS1R1 3373/4885HTT 2719/4885

“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.