SCHEMBL18288684

SCHEMBL18288684

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nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.42
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CA12 O43570 1/20 0.30
AKR1B10 O60218 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AKR1B1 P15121 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL18288693 0.79 HCAR2 (0.38) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL18288652 0.78 HCAR2 (0.45) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL18288691 0.78 HCAR2 (0.45) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL28784787 0.77 LMNA (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21993869 0.73 SLC1A3 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2115988 0.72 HCAR2 (0.59) HCAR2KEAP1NFE2L2
SCHEMBL2115986 0.72 HCAR2 (0.59) HCAR2KEAP1NFE2L2
SCHEMBL2609714 0.72 HCAR2 (0.50) HCAR2KEAP1NFE2L2CA12CA1
SCHEMBL9709216 0.69 HCAR2 (0.48) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL3134060 0.69 HCAR2 (0.48) HCAR2KEAP1NFE2L2CA12AKR1B10

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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 US disclosed
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885MMP1 955/4885MMP2 2658/4885

“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.