SCHEMBL4803084

SCHEMBL4803084

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccccc1CN

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 1/20 0.38
SLC7A5 Q01650 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4803088 1.00 KEAP1 (0.38) KEAP1NFE2L2SLC7A5CYP1A2CYP2D6
SCHEMBL17912379 1.00 KEAP1 (0.38) KEAP1NFE2L2SLC7A5CYP1A2CYP2D6
SCHEMBL29481029 1.00 KEAP1 (0.38) KEAP1NFE2L2SLC7A5CYP1A2CYP2D6
SCHEMBL3594424 0.82 MEN1 (0.36) KEAP1NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL1326634 0.79 SMPD2 (0.41)
SCHEMBL7229620 0.79 SMPD2 (0.41)
SCHEMBL1432658 0.79 SMPD2 (0.41)
SCHEMBL642839 0.79 SMN1; SMN2 (0.41) SLC7A5CYP1A2CYP2D6CYP2C19
SCHEMBL9382586 0.79 SMN1; SMN2 (0.41) SLC7A5CYP1A2CYP2D6CYP2C19
SCHEMBL4797996 0.78 PTPN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM KEAP1 1348/4885NFE2L2 3145/4885SLC7A5 2309/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 KEAP1 1167/4885NFE2L2 3364/4885SLC7A5 2284/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 KEAP1 1316/4885NFE2L2 3777/4885SLC7A5 855/4885

“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.