SCHEMBL4803380

SCHEMBL4803380

COC(=O)CC1c2ccccc2N(OC(=O)C(F)(F)F)C(=O)C1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AADAT Q8N5Z0 1/20 0.34
LMNA P02545 2/20 0.34
EGFR P00533 1/20 0.34
F2 P00734 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CACNA1G O43497 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 4/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL4803371 0.70 EGFR (0.47) ALDH1A1EGFRCACNA1GKDM4EMAPT
SCHEMBL5886612 0.66 EGFR (0.54) ALDH1A1EGFRCACNA1GKDM4EGAA
Hydrochloric Acid SCHEMBL4800214 0.65 EGFR (0.53) ALDH1A1EGFRCACNA1GKDM4EGAA
SCHEMBL5879694 0.62 EGFR (0.41) TSHRALDH1A1EGFRHPGD
SCHEMBL6305777 0.62 EGFR (0.43) TSHRALDH1A1SMN1; SMN2EGFRKDM4E
SCHEMBL24650853 0.61 EGFR (0.45) TSHREGFRF2CACNA1GMEN1
SCHEMBL4151106 0.61 EGFR (0.45) TSHREGFRF2CACNA1GMEN1
Hydrochloric Acid SCHEMBL6305538 0.61 EGFR (0.42) TSHRALDH1A1SMN1; SMN2EGFRKDM4E
Trifluoroacetic Acid SCHEMBL15847726 0.61 OPRM1 (0.43) TSHRALDH1A1EGFRF2TDP1
SCHEMBL25706970 0.61 CES1 (0.45) ALDH1A1NPSR1GAAMEN1KMT2A

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 TSHR 2095/4885ALDH1A1 2808/4885SMN1; SMN2 2431/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 TSHR 3439/4885ALDH1A1 2992/4885SMN1; SMN2 2622/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 TSHR 1159/4885ALDH1A1 3723/4885SMN1; SMN2 2204/4885

“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.