SCHEMBL4803591

SCHEMBL4803591

N[C@@H]1C(=O)Nc2ccccc2OC1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
HSD17B10 Q99714 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
THRB P10828 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
SCHEMBL4595123 0.80 KIF11 (0.38) BRD4
SCHEMBL4596438 0.80 KIF11 (0.38) BRD4
Trifluoroacetic Acid SCHEMBL4799215 0.76 PARP1 (0.51) PARP1TSHRALDH1A1HPGDTP53
Trifluoroacetic Acid SCHEMBL4800639 0.76 PARP1 (0.51) PARP1TSHRALDH1A1HPGDTP53
SCHEMBL4801273 0.72 HSD17B10 (0.44) TSHRALDH1A1HPGDHSD17B10POLB
SCHEMBL5886628 0.72 HSD17B10 (0.44) TSHRALDH1A1HPGDHSD17B10POLB
SCHEMBL4799230 0.71 HSD17B10 (0.46) PARP1TSHRALDH1A1HPGDTP53
SCHEMBL4800646 0.71 HSD17B10 (0.46) PARP1TSHRALDH1A1HPGDTP53
SCHEMBL1562440 0.69 PARP1 (0.65) PARP1TSHRALDH1A1HPGDTP53
SCHEMBL1562544 0.69 PARP1 (0.65) PARP1TSHRALDH1A1HPGDTP53

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 4 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 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 (2 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 PARP1 1060/4885TSHR 2095/4885ALDH1A1 2808/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 PARP1 1629/4885TSHR 1159/4885ALDH1A1 3723/4885

“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.