SCHEMBL4797996

SCHEMBL4797996

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
LMNA P02545 1/20 0.36
CTSS P25774 7/20 0.35
CTSK P43235 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
TRPA1 O75762 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL30808724 1.00 PTPN1 (0.36) PTPN1LMNACTSSCTSKL3MBTL1
SCHEMBL4797998 1.00 PTPN1 (0.36) PTPN1LMNACTSSCTSKL3MBTL1
SCHEMBL3594424 0.81 MEN1 (0.36) ALDH1A1KDM4ENPSR1
SCHEMBL7014616 0.79 L3MBTL1 (0.35) L3MBTL1ALDH1A1TP53
SCHEMBL17086067 0.78 ALDH1A1 (0.41) LMNACTSSSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4803084 0.78 KEAP1 (0.38)
SCHEMBL7229620 0.78 SMPD2 (0.41) CTSSCTSKALDH1A1KDM4ENPC1
SCHEMBL17912379 0.78 KEAP1 (0.38)
SCHEMBL29481029 0.78 KEAP1 (0.38)
SCHEMBL1326634 0.78 SMPD2 (0.41) CTSSCTSKALDH1A1KDM4ENPC1

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 9 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
EP-1048651-B1 NITROGEN-CONTAINING TETRACYCLIC COMPOUNDS TAISHO PHARMACEUTICAL CO LTD (JP) 2003-05-14 EP disclosed
US-6281355-B1 Nitrogen-containing tetracyclic compounds TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-08-28 US disclosed
EP-1048651-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-11-02 EP 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 PTPN1 439/4885LMNA 492/4885CTSS 2295/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 PTPN1 2476/4885LMNA 258/4885CTSS 1520/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 PTPN1 946/4885LMNA 1250/4885CTSS 1182/4885

“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.