SCHEMBL5478307

SCHEMBL5478307

CCOC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CN)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.72
CARM1 Q86X55 2/20 0.55
F2 P00734 1/20 0.53
F10 P00742 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53

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
SCHEMBL23428814 0.88 KLKB1 (0.80) KLKB1CARM1F2F10PRSS1
SCHEMBL20027770 0.85 KMT2A (0.52) KLKB1F2F10PRSS1PRSS2
SCHEMBL12361464 0.85 ALDH1A1 (0.53) KLKB1
Hydrochloric Acid SCHEMBL21854205 0.84 KMT2A (0.51) KLKB1F2F10PRSS1PRSS2
SCHEMBL4586217 0.84 KLKB1 (1.00) KLKB1CARM1F2F10PRSS1
SCHEMBL17064574 0.84 KLKB1 (0.82) KLKB1CARM1F2F10PRSS1
SCHEMBL20502767 0.83 KLKB1 (0.59) KLKB1CARM1
SCHEMBL7478179 0.82 KLKB1 (0.55) KLKB1CARM1
SCHEMBL5474167 0.82 KLKB1 (0.51) KLKB1CARM1PRSS1PRSS2PRSS3
SCHEMBL15519630 0.80 GRN (0.50) KLKB1CARM1

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-20070060589-A1 Inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
WO-2006069155-A2 INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-29 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-20070060589-A1 Inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT6 KLKB1 3255/4885CARM1 20/4885F2 2641/4885

“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.