SCHEMBL800495

SCHEMBL800495

COC(=O)C1COC(C(C)NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14737594 1.00 KMT2A (0.44) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL800927 0.88 LMNA (0.39) KMT2ATSHRHSD17B10ALDH1A1CTSK
SCHEMBL15214455 0.87 GAA (0.36) KMT2ATSHRHSD17B10CTSKCA1
SCHEMBL23723023 0.83 LMNA (0.43) KMT2ATSHRHSD17B10ALDH1A1CTSK
SCHEMBL22648564 0.83 LMNA (0.43) KMT2ATSHRHSD17B10ALDH1A1CTSK
SCHEMBL12493590 0.83 CTSK (0.38) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL22648562 0.82 CTSK (0.43) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL12493451 0.80 CTSK (0.36) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL12493448 0.80 CTSK (0.36) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL5014109 0.78 ALDH1A1 (0.49) KMT2ATSHRHSD17B10ALDH1A1CTSK

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
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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 (1 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 KMT2A 1663/4885TSHR 1697/4885HSD17B10 3663/4885

“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.