SCHEMBL17973544

SCHEMBL17973544

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nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 8/20 0.35
▸ METAP1 P53582 6/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MME P08473 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ BIRC2 Q13490 1/20 0.31

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
SCHEMBL17973550 0.87 ALDH1A1 (0.38) METAP2METAP1TSHRHSD17B10ALDH1A1
SCHEMBL17973545 0.79 — —
SCHEMBL24393883 0.78 GAA (0.36) TSHRHSD17B10ALDH1A1
SCHEMBL28272672 0.73 CA1 (0.44) TSHRHSD17B10
SCHEMBL16579343 0.73 CA1 (0.44) TSHRHSD17B10
SCHEMBL108288 0.70 NPC1 (0.31) —
SCHEMBL12018806 0.70 ACHE (0.33) ALDH1A1ALPGPPARGHTTNCOA2
SCHEMBL20669522 0.69 CTSK (0.43) HTT
SCHEMBL11949476 0.69 MME (0.60) TSHRMMEACECPA1ACE2
SCHEMBL6283701 0.69 MEN1 (0.36) —

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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 — — 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-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD METAP2 188/4885METAP1 108/4885TSHR 3405/4885

“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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