SCHEMBL20153838

SCHEMBL20153838

CNC(=O)[C@H](Cc1ccccc1)NN1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 12/20 0.49
▸ FCER2 P06734 2/20 0.49
▸ MMP2 P08253 14/20 0.46
▸ MMP3 P08254 8/20 0.46
▸ MMP9 P14780 4/20 0.45
▸ MMP8 P22894 4/20 0.45
▸ MMP7 P09237 2/20 0.45
▸ AKT1 P31749 1/20 0.44

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
SCHEMBL29024434 0.85 MME (0.49) MMP2MMP9
SCHEMBL27349758 0.83 ATM (0.53) —
SCHEMBL6846291 0.78 MMP1 (0.58) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7439020 0.78 MMP1 (0.58) MMP1FCER2MMP2MMP3MMP9
SCHEMBL4428864 0.78 MMP1 (0.58) MMP1FCER2MMP2MMP3MMP9
SCHEMBL4428861 0.78 MMP1 (0.58) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7439018 0.78 MMP1 (0.58) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7762294 0.75 MMP1 (0.56) MMP1FCER2MMP2MMP3MMP9
SCHEMBL21988101 0.75 MMP1 (0.63) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7762297 0.75 MMP1 (0.56) MMP1FCER2MMP2MMP3MMP9

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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 — — 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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN MMP1 1721/4885FCER2 261/4885MMP2 933/4885

“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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