SCHEMBL18572996

SCHEMBL18572996

CCCCC(C(=O)NC)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ DPP7 Q9UHL4 3/20 0.38
▸ SLC15A1 P46059 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ MMP3 P08254 6/20 0.36
▸ MMP1 P03956 4/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP2 P08253 5/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ PDF Q9HBH1 1/20 0.36
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35

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
SCHEMBL20411668 1.00 CA2 (0.41) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL20411635 1.00 CA2 (0.41) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL19546495 0.88 HDAC7 (0.45) CA2CA1MMP3MMP1MMP9
SCHEMBL22995173 0.85 CA2 (0.39) CA2CA1DPP7SLC15A1MAPK1
SCHEMBL7319769 0.82 DPP7 (0.34) DPP7MMP3MMP1MMP9DPP8
SCHEMBL7322254 0.81 GSR (0.38) DPP7MMP3MMP1DPP8DPP9
SCHEMBL19606194 0.79 CHRNB2 (0.32) —
SCHEMBL21158803 0.79 USP2 (0.39) CA2CA1
SCHEMBL22199502 0.78 CA1 (0.34) CA2CA1DPP7SLC15A1MMP3
SCHEMBL16585650 0.77 CA2 (0.50) CA2CA1MAPK1SLC1A3SLC1A2

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-20180209985-A1 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-26 — — US disclosed
WO-2016196994-A9 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-02 — — 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 (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-20180209985-A1 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY CHAMP1, SRMS, QPCTL CA2 2570/4885CA1 402/4885DPP7 2558/4885

“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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