SCHEMBL6869717

SCHEMBL6869717

Nc1cc(C(=O)O)cc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.56
GABRD O14764 3/20 0.56
GABRA1 P14867 3/20 0.56
GABRB1 P18505 3/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
GABRA5 P31644 3/20 0.56
GABRA3 P34903 3/20 0.56
GABRA2 P47869 3/20 0.56
GABRB2 P47870 3/20 0.56
GABRA4 P48169 3/20 0.56
GABRE P78334 3/20 0.56
GABRA6 Q16445 3/20 0.56
GABRG1 Q8N1C3 3/20 0.56
GABRG3 Q99928 3/20 0.56
GABRQ Q9UN88 3/20 0.56
TSHR P16473 3/20 0.54
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 3/20 0.46

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
Methoxymethane SCHEMBL6871514 0.91 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6844134 0.86 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL793674 0.84 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1291103 0.84 NOS3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2715034 0.80 KDM4E (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18362977 0.80 NOS3 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18362973 0.80 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18362997 0.80 NOS2 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2088488 0.79 SMN1; SMN2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18363001 0.78 CTRC (0.61) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334462-B1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME RC BIOTECHNOLOGIES INC (US) 2022-01-19 EP disclosed
US-10772965-B2 Covalent linkers in antibody-drug conjugates and methods of making and using the same RC BIOTECHNOLOGIES, INC. (US) 2020-09-15 US disclosed
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME REMEGEN CO., LTD. (CN) 2018-06-21 US disclosed
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME REMEGEN CO., LTD. (CN) 2018-06-21 US disclosed
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
CN-1486314-A Aminotriazolopyridine derivatives as adenosine receptor ligands - 2004-03-31 CN disclosed
EP-1347974-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6506772-B1 Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. HOFFMANN-LA ROCHE INC. 2003-01-14 US disclosed
WO-2002048145-A1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 WO disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (3 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-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME DHFR, FCGR1A, ADCY4 GABRP 1304/4885GABRD 674/4885GABRA1 802/4885
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same DHFR, FCGR1A, ADCY4 GABRP 1304/4885GABRD 674/4885GABRA1 802/4885
US-10772965-B2 Covalent linkers in antibody-drug conjugates and methods of making and using the same DHFR, FCGR1A, ADCY4 GABRP 1304/4885GABRD 674/4885GABRA1 802/4885

“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.