SCHEMBL17683750

SCHEMBL17683750

Cc1cnc(CNCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ F2 P00734 16/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ PRSS1 P07477 5/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ MASP2 O00187 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
SCHEMBL17545158 0.86 EHMT2 (0.40) EHMT2EHMT1KLKB1
SCHEMBL17544811 0.85 EHMT2 (0.41) EHMT2EHMT1KLKB1
SCHEMBL17670405 0.83 EHMT2 (0.39) EHMT2EHMT1
SCHEMBL17549943 0.81 EHMT2 (0.38) EHMT2EHMT1KLKB1
SCHEMBL17670431 0.79 USP2 (0.39) EHMT2EHMT1
SCHEMBL17545013 0.79 EHMT2 (0.37) EHMT2EHMT1
SCHEMBL17544666 0.78 EHMT2 (0.44) EHMT2EHMT1KLKB1
SCHEMBL17670429 0.77 EHMT2 (0.41) EHMT2EHMT1KLKB1
SCHEMBL17544728 0.77 EHMT2 (0.44) EHMT2EHMT1
SCHEMBL17549921 0.76 CASR (0.37) —

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 EHMT2 31/4885EHMT1 26/4885F2 4546/4885

“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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