SCHEMBL4339307

SCHEMBL4339307

COc1ccc(C=O)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 9/20 0.46
AOX1 Q06278 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FDPS P14324 1/20 0.43
HPGD P15428 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
TRIM24 O15164 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4A O75164 1/20 0.41

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
SCHEMBL5034499 0.88 ALDH1A1 (0.51) KDM4EPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL3413605 0.87 PPARG (0.45) KDM4EPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL31420797 0.84 EGFR (0.43) KDM4EPOLBALDH1A1AOX1SMN1; SMN2
SCHEMBL6675923 0.84 KDM4E (0.45) KDM4EPOLBALDH1A1TSHRHPGD
SCHEMBL2553317 0.83 KDM4A (0.41) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL2522260 0.83 NPC1 (0.42) KDM4EPOLBALDH1A1SMN1; SMN2KDM4A
SCHEMBL12206607 0.83 KDM4A (0.41) KDM4EPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL5034488 0.82 ALDH1A1 (0.51) POLBALDH1A1AOX1TSHRSMN1; SMN2
SCHEMBL3413974 0.82 ALDH1A1 (0.54) KDM4EALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL6186334 0.81 ALDH1A1 (0.44) KDM4EPOLBALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 WO disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD KDM4E 2818/4885POLB 1978/4885ALDH1A1 1662/4885
US-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 KDM4E 2258/4885POLB 3957/4885ALDH1A1 1736/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 KDM4E 3094/4885POLB 3622/4885ALDH1A1 844/4885
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 KDM4E 1012/4885POLB 3758/4885ALDH1A1 1716/4885

“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.