SCHEMBL17442873

SCHEMBL17442873

[N-]=[N+]=NC(CCC(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPM1B O75688 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SLC1A2 P43004 1/20 0.30

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
SCHEMBL29843978 0.80 KMT2A (0.31) KMT2AATM
SCHEMBL29010374 0.77 TSHR (0.31)
SCHEMBL15958383 0.73
SCHEMBL15570447 0.73 ALDH1A1 (0.40) ALDH1A1PKMKMT2AATMSLC1A2
SCHEMBL1333228 0.70 ALDH1A1 (0.56) ALDH1A1CYP1A2PKMCYP2C19PPM1B
SCHEMBL2804787 0.70 CYP1A2 (0.38) ALDH1A1CYP1A2PKMCYP2C19PPM1B
SCHEMBL631270 0.70 ALDH1A1 (0.56) ALDH1A1CYP1A2PKMCYP2C19PPM1B
SCHEMBL8510385 0.70 CYP1A2 (0.38) ALDH1A1CYP1A2PKMCYP2C19PPM1B
SCHEMBL15958390 0.69 TET2 (0.39) CYP1A2CYP3A4HSD17B10SLC1A2FOLH1
SCHEMBL17442874 0.68 ALDH1A1 (0.46) ALDH1A1CYP1A2PKMCYP2C19PPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2023-09-12 US disclosed
EP-3988170-A1 FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES Novartis AG (CH) 2022-04-27 EP disclosed
US-20210000964-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-01-07 US disclosed
EP-3736334-A1 RNAI COMPOSITIONS TO TREAT APOC3-RELATED DISEASES Arrowhead Pharmaceuticals, Inc. (US) 2020-11-11 EP disclosed
US-10786576-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2020-09-29 US disclosed
EP-3169784-B1 RNAI COMPOSITIONS TO TREAT APOC3-RELATED DISEASES ARROWHEAD PHARMACEUTICALS INC (US) 2020-06-10 EP disclosed
US-10588980-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2020-03-17 US disclosed
US-20180326079-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-15 US disclosed
EP-3169784-A1 ORGANIC COMPOSITIONS TO TREAT APOC3-RELATED DISEASES Arrowhead Pharmaceuticals, Inc. (US) 2017-05-24 EP disclosed
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 US disclosed
WO-2016011123-A1 ORGANIC COMPOSITIONS TO TREAT APOC3-RELATED DISEASES ARROWHEAD RESEARCH CORPORATION (US) 2016-01-21 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 (6 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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 ALDH1A1 849/4885CYP1A2 1373/4885PKM 1041/4885
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 ALDH1A1 907/4885CYP1A2 1053/4885PKM 1150/4885
US-20180326079-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 ALDH1A1 849/4885CYP1A2 1373/4885PKM 1041/4885
US-10786576-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 ALDH1A1 907/4885CYP1A2 1053/4885PKM 1150/4885
US-10588980-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 ALDH1A1 907/4885CYP1A2 1053/4885PKM 1150/4885
US-20210000964-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 ALDH1A1 849/4885CYP1A2 1373/4885PKM 1041/4885

“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.