Sugi Predict

Sugi Predict / Compounds / SCHEMBL4800646

SCHEMBL4800646

SCHEMBL4800646

C[C@@]1(OC(=O)C(F)(F)F)Oc2ccccc2NC(=O)[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PARP1 P09874 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALOX5 P09917 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL4799230 1.00 HSD17B10 (0.46) HSD17B10POLBPARP1TSHRMAPT
SCHEMBL15594336 0.73 PARP1 (0.51) HSD17B10POLBPARP1MAPTALOX5
SCHEMBL4803591 0.71 PARP1 (0.43) HSD17B10POLBPARP1TSHRMAPT
SCHEMBL15594238 0.69 PARP1 (0.43) HSD17B10POLBPARP1TSHRMAPT
Trifluoroacetic Acid SCHEMBL4800639 0.67 PARP1 (0.51) HSD17B10POLBPARP1TSHRMAPT
Trifluoroacetic Acid SCHEMBL4799215 0.67 PARP1 (0.51) HSD17B10POLBPARP1TSHRMAPT
SCHEMBL15594244 0.67 TSHR (0.42) HSD17B10POLBPARP1TSHRMAPT
SCHEMBL15594236 0.66 PARP1 (0.43) HSD17B10PARP1MAPTALDH1A1HPGD
SCHEMBL15594335 0.65 MAPK1 (0.42) TSHRMAPTALDH1A1HPGDMAPK1
Trifluoroacetic Acid SCHEMBL4803583 0.65 RIPK1 (0.43) HSD17B10POLBPARP1ALDH1A1HPGD

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 HSD17B10 291/4885POLB 1536/4885PARP1 1060/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 HSD17B10 98/4885POLB 1306/4885PARP1 395/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 HSD17B10 329/4885POLB 2388/4885PARP1 1629/4885

“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.