Sugi Predict

Sugi Predict / Compounds / SCHEMBL4796345

SCHEMBL4796345

SCHEMBL4796345

CCOC(=O)C1(NNC(C)=O)Cc2c(cccc2OC)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MTNR1B P49286 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL25329296 0.76 BRD4 (0.39) BRD4GAAKDM4EPOLBLMNA
SCHEMBL30576517 0.76 BRD4 (0.39) BRD4GAAKDM4EPOLBLMNA
SCHEMBL29715369 0.71 BRD4 (0.51) BRD4GAAKDM4EPOLBLMNA
SCHEMBL23099736 0.71 BRD4 (0.51) BRD4GAAKDM4EPOLBLMNA
SCHEMBL4063807 0.71 BRD4 (0.51) BRD4GAAKDM4EPOLBLMNA
SCHEMBL28540387 0.66 CA1 (0.43) GAAKDM4EPOLBLMNAMAPT
SCHEMBL28540388 0.66 CA1 (0.43) GAAKDM4EPOLBLMNAMAPT
SCHEMBL7350858 0.66 BRD4 (0.50) BRD4GAAKDM4EPOLBLMNA
SCHEMBL16835952 0.65 TSHR (0.41) MTNR1ABRD4KDM4EPOLBLMNA
SCHEMBL1080060 0.65 BRD4 (0.52) MTNR1ABRD4KDM4EPOLBLMNA

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 MTNR1A 1284/4885BRD4 3810/4885GAA 43/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 MTNR1A 1973/4885BRD4 3431/4885GAA 23/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 MTNR1A 1183/4885BRD4 2267/4885GAA 28/4885

“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.