SCHEMBL23370296

SCHEMBL23370296

CC(C)CCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(O)NC(CC(C)c1ccccc1N)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.51
▸ MMP2 P08253 11/20 0.48
▸ MMP9 P14780 10/20 0.48
▸ ERAP2 Q6P179 1/20 0.48
▸ MMP1 P03956 3/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ MMP8 P22894 5/20 0.47
▸ KISS1R Q969F8 1/20 0.46
▸ REN P00797 1/20 0.46
▸ GHSR Q92847 1/20 0.45
▸ ADAM10 O14672 1/20 0.45
▸ ADAM12 O43184 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP15 P51511 1/20 0.45
▸ MMP16 P51512 1/20 0.45
▸ ADAM17 P78536 1/20 0.45

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
SCHEMBL23370300 0.83 MMP2 (0.54) MMP2MMP9MMP1MMP14MMP8
SCHEMBL18857607 0.80 ECE1 (0.64) ECE1ERAP2
SCHEMBL18862363 0.76 ECE1 (0.55) ECE1MMP2MMP9ERAP2MMP1
SCHEMBL18862464 0.76 GHSR (0.62) ECE1KISS1RRENGHSR
SCHEMBL26418688 0.74 ECE1 (0.59) ECE1ERAP2
SCHEMBL15791257 0.74 ACE (0.62) ECE1ERAP2
SCHEMBL18862366 0.73 GHSR (0.60) ECE1KISS1RRENGHSR
SCHEMBL18862053 0.71 ECE1 (0.59) ECE1MMP2MMP9ERAP2MMP8
SCHEMBL15692398 0.71 ECE1 (0.68) ECE1MMP2MMP9ERAP2MMP1
SCHEMBL24122290 0.70 ECE1 (0.60) ECE1MMP2MMP9MMP1MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC 2021-05-20 — — 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-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS PNPO, G6PD, AGXT ECE1 2895/4885MMP2 4367/4885MMP9 3000/4885

“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.

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