SCHEMBL6354510

SCHEMBL6354510

N=C(N)c1ccc(C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.52
PLAU P00749 2/20 0.47
PKM P14618 1/20 0.47
LIG1 P18858 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL70493 0.84 DAO (0.67) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL2424445 0.83 DAO (0.60) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL6828047 0.83 F2 (0.60) DAOPLAUKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL3074364 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL19987844 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL28353716 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL11598753 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1979156 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL29808747 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1
SCHEMBL27562112 0.82 DAO (0.64) DAOPKMLIG1KDM4EALDH1A1

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-6903227-B2 Synthesis of 2-acyl substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-6855833-B2 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 US disclosed
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 US disclosed
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
US-20030233002-A1 Synthesis of 2-Acyl substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001094330-A2 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS, INC. (US) 2001-12-13 WO disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 WO disclosed
WO-2001092250-A2 SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND INTERMEDIATES THEREOF COR THERAPEUTICS, INC. (US) 2001-12-06 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 (4 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-20030233002-A1 Synthesis of 2-Acyl substituted chromanes and intermediates thereof PLA2G7, PAFAH1B2, PAFAH1B3 DAO 315/4885PLAU 1039/4885PKM 2840/4885
US-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY DAO 278/4885PLAU 1886/4885PKM 2918/4885
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof PFKP, PDGFRA, TBXAS1 DAO 6/4885PLAU 279/4885PKM 1804/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 DAO 105/4885PLAU 606/4885PKM 3023/4885

“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.