SCHEMBL23332004

SCHEMBL23332004

C=C(CC(=O)OC)C(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.54
FCER2 P06734 4/20 0.48
HPGDS O60760 3/20 0.44
PPARG P37231 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
ATM Q13315 1/20 0.44
CAPN1 P07384 1/20 0.44
CTSB P07858 1/20 0.44
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
REN P00797 1/20 0.43
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL24942260 1.00 MMP1 (0.54) MMP1FCER2HPGDSPPARGMMP9
SCHEMBL23332003 0.85 EGFR (0.49) MMP8ATMCYP2C19ALDH1A1THRB
SCHEMBL23331979 0.85 EGFR (0.49) MMP8ATMCYP2C19ALDH1A1THRB
SCHEMBL8374049 0.82 FCER2 (0.50) MMP1FCER2HPGDSPPARGMMP9
SCHEMBL19584939 0.81 MMP9 (0.56) MMP1FCER2HPGDSMMP9MMP8
SCHEMBL24925106 0.79 MMP1 (0.48) MMP1FCER2HPGDSCAPN1CYP2C19
SCHEMBL3616167 0.79 MMP1 (0.55) MMP1FCER2HPGDSPPARGATM
SCHEMBL3616169 0.79 MMP1 (0.55) MMP1FCER2HPGDSPPARGATM
SCHEMBL3107407 0.79 FCER2 (0.52) MMP1FCER2HPGDSPPARGMMP9
SCHEMBL24942198 0.78 MMP1 (0.47) MMP1FCER2PPARGATMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 US disclosed
CN-115052588-A Prodrugs of itaconate and methyl itaconate 约翰霍普金斯大学 2022-09-13 CN disclosed
WO-2021087083-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
WO-2021087082-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 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 (2 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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 MMP1 126/4885FCER2 4023/4885HPGDS 136/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 MMP1 645/4885FCER2 3630/4885HPGDS 191/4885

“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.