SCHEMBL16266302

SCHEMBL16266302

Cc1cc(=O)oc2cc(NN)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.66
▸ CA12 O43570 6/20 0.66
▸ CA9 Q16790 6/20 0.66
▸ CA1 P00915 4/20 0.66
▸ LMNA P02545 2/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ KDM4E B2RXH2 10/20 0.63
▸ HPGD P15428 7/20 0.63
▸ GAA P10253 6/20 0.63
▸ GLA P06280 5/20 0.63
▸ HSD17B10 Q99714 5/20 0.63
▸ CASP1 P29466 2/20 0.63
▸ CASP7 P55210 2/20 0.63
▸ CA4 P22748 1/20 0.62
▸ MAOB P27338 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ AKR1B1 P15121 1/20 0.58
▸ UGT1A1 P22309 1/20 0.58
▸ KDR P35968 1/20 0.58

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
Hydrochloric Acid SCHEMBL25373064 0.98 ALDH1A1 (0.64) ALDH1A1CA12CA9CA1LMNA
SCHEMBL3361958 0.85 ALDH1A1 (0.68) ALDH1A1CA12CA9CA1LMNA
SCHEMBL16316724 0.83 ALDH1A1 (0.66) ALDH1A1CA12CA9CA1LMNA
SCHEMBL20870224 0.82 ALDH1A1 (0.64) ALDH1A1CA12CA9CA1LMNA
SCHEMBL22685138 0.81 CA12 (0.76) ALDH1A1CA12CA9CA1KDM4E
SCHEMBL10134019 0.81 ALDH1A1 (0.62) ALDH1A1CA12CA9CA1LMNA
SCHEMBL19022033 0.81 ALDH1A1 (0.62) ALDH1A1CA12CA9CA1LMNA
SCHEMBL1034943 0.81 CA12 (0.72) ALDH1A1CA12CA9CA1LMNA
SCHEMBL29673209 0.81 CA12 (0.72) ALDH1A1CA12CA9CA1LMNA
SCHEMBL29738214 0.81 ALDH1A1 (0.62) ALDH1A1CA12CA9CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015041729-A2 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF α-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2015-03-26 — — WO claimed
US-20140356894-A1 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF ALPHA-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-12-04 — — US claimed
US-11958880-B2 Means and methods for site-specific functionalization of polypeptides LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2024-04-16 — — US disclosed
WO-2023164193-A1 REAGENTS FOR FLUORESCENT, UV, AND MS LABELING OF O-GLYCANS, AND METHODS OF MAKING AND USING THEM AGILENT TECHNOLOGIES, INC. (US) 2023-08-31 — — WO disclosed
US-11572384-B2 Unusual substrates of tubulin tyrosine ligase FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-02-07 — — US disclosed
US-20220363714-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-11-17 — — US disclosed
US-11401298-B2 Means and methods for site-specific functionalization of polypeptides LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2022-08-02 — — US disclosed
US-20210040145-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2021-02-11 — — US disclosed
EP-3733687-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES Ludwig-Maximilians-Universität München (DE) 2020-11-04 — — EP disclosed
US-10745437-B2 Means and methods for site-specific functionalization of polypeptides LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-08-18 — — US disclosed
EP-3212659-B1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2020-04-01 — — EP disclosed
US-10071990-B2 Site-specific orthogonal labeling of the carboxy terminus of α-tubulin in live cells THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-09-11 — — US disclosed
US-20170349625-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2017-12-07 — — US disclosed
WO-2017186855-A1 UNUSUAL SUBSTRATES OF TUBULIN TYROSINE LIGASE FORSCHUNGSVERBUND BERLIN E.V. (DE) 2017-11-02 — — WO disclosed
EP-3212659-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES Ludwig-Maximilians-Universität München (DE) 2017-09-06 — — EP disclosed
WO-2016066749-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2016-05-06 — — WO disclosed
WO-2015041729-A2 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF α-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2015-03-26 — — WO disclosed
US-20140356894-A1 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF ALPHA-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-12-04 — — US disclosed
US-20140356894-A1 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF ALPHA-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-12-04 — — US disclosed
US-20140356894-A1 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF ALPHA-TUBULIN IN LIVE CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-12-04 — — 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 (9 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-20170349625-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885
US-11572384-B2 Unusual substrates of tubulin tyrosine ligase TTL, TUBA1C, TUBB6 ALDH1A1 3975/4885CA12 3846/4885CA9 4469/4885
US-20220363714-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885
US-11401298-B2 Means and methods for site-specific functionalization of polypeptides PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885
US-20210040145-A1 MEANS AND METHODS FOR SITE-SPECIFIC FUNCTIONALIZATION OF POLYPEPTIDES PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885
US-20140356894-A1 SITE-SPECIFIC ORTHOGONAL LABELING OF THE CARBOXY TERMINUS OF ALPHA-TUBULIN IN LIVE CELLS TUBB, TUBA1C, TUBB1 ALDH1A1 2392/4885CA12 3783/4885CA9 4428/4885
US-10071990-B2 Site-specific orthogonal labeling of the carboxy terminus of α-tubulin in live cells TUBB, TUBA1C, TUBB1 ALDH1A1 2407/4885CA12 3809/4885CA9 4448/4885
US-10745437-B2 Means and methods for site-specific functionalization of polypeptides PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885
US-11958880-B2 Means and methods for site-specific functionalization of polypeptides PTMS, DNPEP, LNPEP ALDH1A1 4561/4885CA12 1337/4885CA9 3514/4885

“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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