SCHEMBL416543

SCHEMBL416543

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)CCO

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.85
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 1/20 0.72
▸ NAA40 Q86UY6 1/20 0.70

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
SCHEMBL21874948 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL15018707 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL28813886 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL27900338 0.97 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL29806102 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL21314167 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18925866 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL14918771 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18838134 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL16585582 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056488-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA INC (US) 2022-02-24 — — US claimed
US-20190264241-A1 BIOSYNTHESIS OF 1,3-BUTANEDIOL INVISTA NORTH AMERICA S.A.R.L. 2019-08-29 — — US claimed
EP-3374512-A1 POLYPEPTIDES FOR CARBON-CARBON BOND FORMATION AND USES THEREOF INVISTA Textiles (U.K.) Limited (GB) 2018-09-19 — — EP claimed
EP-3218506-A1 BIOSYNTHESIS OF 1,3-BUTANEDIOL Invista Technologies S.à r.l. (CH) 2017-09-20 — — EP claimed
WO-2017083656-A1 POLYPEPTIDES FOR CARBON-CARBON BOND FORMATION AND USES THEREOF INVISTA NORTH AMERICA S.A.R.L (US) 2017-05-18 — — WO claimed
WO-2016077745-A1 BIOSYNTHESIS OF 1,3-BUTANEDIOL INVISTA TECHNOLOGIES S.A.R.L. (CH) 2016-05-19 — — WO claimed
US-20160138052-A1 Biosynthesis of 1,3-Butanediol INV NYLON CHEMICALS AMERICAS, LLC 2016-05-19 — — US claimed
US-20150152440-A1 MODIFIED MICROORGANISMS AND METHODS OF CO-PRODUCING BUTADIENE WITH 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S.A. (BR) 2015-06-04 — — US claimed
WO-2015035244-A1 MODIFIED MICROORGANISM AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S/A (BR) 2015-03-12 — — WO claimed
US-20150064760-A1 MODIFIED MICROORGANISM AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S.A. (BR) 2015-03-05 — — US claimed
WO-2013192183-A1 MODIFIED MICROORGANISMS AND METHODS OF CO-PRODUCING BUTADIENE WITH 1-PROPANOL AND/OR 1,2-PROPANEDIOL BRASKEM S/A AP 09 (BR) 2013-12-27 — — WO claimed
US-12529078-B2 Microorganisms and methods for improving product yields on methanol using acetyl-CoA synthesis GENOMATICA, INC. (US) 2026-01-20 — — US disclosed
US-20240294950-A1 MICROORGANISMS AND METHODS FOR IMPROVING PRODUCT YIELDS ON METHANOL USING ACETYL-COA SYNTHESIS AGAIN BIO APS (DK) 2024-09-05 — — US disclosed
EP-4421181-A2 NON-NATURAL MICROBIAL ORGANISMS WITH IMPROVED ENERGETIC EFFICIENCY Genomatica, Inc. (US) 2024-08-28 — — EP disclosed
EP-3741865-B1 NON-NATURAL MICROBIAL ORGANISMS WITH IMPROVED ENERGETIC EFFICIENCY GENOMATICA INC (US) 2024-03-13 — — EP disclosed
WO-2013090915-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2013-06-20 — — WO disclosed
US-20130109064-A1 MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS GENOMATICA, INC. 2013-05-02 — — US disclosed
WO-2013028519-A1 MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS GENOMATICA, INC. (US) 2013-02-28 — — WO disclosed
WO-2012018624-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2012-02-09 — — WO disclosed
US-20120021478-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE AGAIN BIO APS (DK) 2012-01-26 — — 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-12529078-B2 Microorganisms and methods for improving product yields on methanol using acetyl-CoA synthesis ALDOA, FDPS, DERA NAA50 298/4885CHAT 1363/4885EP300 1390/4885

“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.

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