SCHEMBL12077703

SCHEMBL12077703

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CO

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.86
▸ EP300 Q09472 3/20 0.83
▸ CHAT P28329 2/20 0.83
▸ AURKA O14965 2/20 0.83
▸ KAT5 Q92993 2/20 0.83
▸ KAT2B Q92831 1/20 0.83
▸ CREBBP Q92793 1/20 0.72
▸ NAA40 Q86UY6 1/20 0.71

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
SCHEMBL14918771 0.97 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL29806102 0.97 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL21314167 0.97 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL18925866 0.97 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL18838134 0.96 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL15018707 0.96 NAA50 (0.85) NAA50EP300CHATAURKAKAT5
SCHEMBL28813886 0.96 NAA50 (0.85) NAA50EP300CHATAURKAKAT5
SCHEMBL21874948 0.96 NAA50 (0.85) NAA50EP300CHATAURKAKAT5
SCHEMBL416543 0.96 NAA50 (0.85) NAA50EP300CHATAURKAKAT5
SCHEMBL12660840 0.96 NAA50 (0.89) NAA50EP300CHATAURKAKAT5

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-20140364629-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-12-11 — — US disclosed
US-8669379-B2 Microbial production of 3,4-dihydroxybutyrate (3,4-DHBA), 2,3-dihydroxybutyrate (2,3-DHBA) and 3-hydroxybutyrolactone (3-HBL) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-03-11 — — US disclosed
US-20120226055-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-09-06 — — US disclosed
WO-2012116307-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3-DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-30 — — WO 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-20140364629-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) HSD17B10, HBB, HADHB NAA50 1976/4885EP300 4452/4885CHAT 4397/4885
US-20120226055-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) HSD17B10, HBB, HADHB NAA50 1976/4885EP300 4452/4885CHAT 4397/4885

“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.

Send feedback