SCHEMBL29702174

SCHEMBL29702174

COCCOCCOC(=O)C(N)Cc1ccc(Br)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
ACACB O00763 3/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL29702250 0.90 ALDH1A1 (0.36) SIRT2ACACBL3MBTL1ALDH1A1TSHR
SCHEMBL4200153 0.83 ALDH1A1 (0.45) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL18297107 0.78 ALPI (0.51) CA2TSHR
SCHEMBL2496771 0.78 ALPI (0.51) CA2TSHR
SCHEMBL27805611 0.77 SLC7A5 (0.40) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL4072789 0.77 SLC7A5 (0.40) SIRT2MMP2MMP9MMP8MMP13
SCHEMBL23742834 0.75 DPP4 (0.42) ACACBALDH1A1
SCHEMBL21946645 0.74 FDPS (0.48) TDP1TSHRCYP3A4
SCHEMBL2073432 0.74 HSD17B10 (0.57) KDM4ETDP1ALDH1A1HSD17B10CPB2
SCHEMBL1172004 0.74 ICAM1 (0.37) MMP2MMP9MMP8MMP13ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US claimed
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 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 (1 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-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES SLC43A1, NPPA, NAAA SIRT2 1221/4885ACACB 1353/4885MMP2 3940/4885

“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.