SCHEMBL3097709

SCHEMBL3097709

CCC(Cc1cnn(Cc2ccc(F)cc2F)c1)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.45
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 4/20 0.39
RIPK1 Q13546 2/20 0.38
HDAC1 Q13547 2/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALKBH1 Q13686 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
MET P08581 1/20 0.36
FSCN1 Q16658 1/20 0.36

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
SCHEMBL3089049 0.85 LMNA (0.50) KLKB1ALDH1A1POLBMAPT
SCHEMBL13153129 0.81 KLKB1 (0.44) KLKB1ADORA2BALDH1A1HDAC1JAK3
SCHEMBL3103809 0.81 KLKB1 (0.46) KLKB1ADORA2BALDH1A1HDAC1JAK3
SCHEMBL15014141 0.79 ADORA2B (0.46) KLKB1ADORA2BALDH1A1HDAC1JAK3
SCHEMBL3091908 0.78 L3MBTL1 (0.47) KLKB1ALDH1A1HDAC1POLBTDP1
SCHEMBL3092873 0.78 HPGD (0.49) KLKB1ADORA2BALDH1A1POLB
SCHEMBL3469641 0.78 KLKB1 (0.44) KLKB1ADORA2BALDH1A1HDAC1JAK3
SCHEMBL31118209 0.78 RIPK1 (0.50) ALDH1A1RIPK1TDP1MAPTPKM
SCHEMBL13181121 0.77 ADORA2B (0.47) KLKB1ADORA2BALDH1A1HDAC1JAK3
SCHEMBL3100268 0.77 KLKB1 (0.43) KLKB1ADORA2BALDH1A1HDAC1JAK3

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 KLKB1 1369/4885ADORA2B 2015/4885ALDH1A1 617/4885

“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.