SCHEMBL762318

SCHEMBL762318

O=C(O)CCCCNC(=O)c1cc2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 7/20 0.43
▸ AKR1B1 P15121 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AKR1A1 P14550 2/20 0.43
▸ CBR1 P16152 2/20 0.43
▸ AKR1C4 P17516 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ AKR1C1 Q04828 2/20 0.43
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39

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
SCHEMBL17942940 0.99 AKR1B10 (0.43) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL15299580 0.97 AKR1B10 (0.44) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL30423318 0.87 AKR1B10 (0.43) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL25168020 0.87 AKR1B10 (0.43) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL25167999 0.87 AKR1B10 (0.43) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL25167167 0.87 NAAA (0.44) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL30422928 0.87 AKR1B10 (0.43) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL25167885 0.85 AKR1B10 (0.42) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL25166772 0.84 NAAA (0.42) AKR1B10AKR1B1ALDH1A1KDM4EMAPT
SCHEMBL30422923 0.84 NAAA (0.42) AKR1B10AKR1B1ALDH1A1KDM4EMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 — — US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 — — US disclosed
WO-2013052851-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE AND PROTEIN LABELING USING LIPOIC ACID LIGASES SPECIFIC TO RESORUFIN MASSACHUSETTS INISTITUTE OF TECHNOLOGY (US) 2013-04-11 — — WO disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 — — US disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 — — US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 — — US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 — — US disclosed
US-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 — — US disclosed
US-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 — — 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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 AKR1B10 3160/4885AKR1B1 3012/4885ALDH1A1 1936/4885

“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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