SCHEMBL14331601

SCHEMBL14331601

CCOC(=O)C(F)(F)c1cnc2cc(OC(F)(F)F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ MAOB P27338 5/20 0.42
▸ POLB P06746 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ HPGDS O60760 2/20 0.39
▸ ELANE P08246 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 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
SCHEMBL14330665 0.85 ACSS2 (0.40) MAOBACSS2KDM4EGAAMEN1
SCHEMBL14330657 0.83 ALDH1A1 (0.42) MAOBACSS2KDM4EGAASMN1; SMN2
SCHEMBL17583176 0.79 POLB (0.46) TP53POLBELANEGRIN2BGAA
SCHEMBL28701482 0.75 MAOB (0.57) TP53MAOBPOLBHPGDSELANE
SCHEMBL29365635 0.75 MAOB (0.57) TP53MAOBPOLBHPGDSELANE
SCHEMBL14331598 0.74 CES2 (0.38) TP53DYRK1AHPGDSPDE10AMEN1
SCHEMBL21225586 0.74 PDE10A (0.46) TP53DYRK1AHPGDSPDE10AGAA
SCHEMBL24701948 0.72 ALDH1A1 (0.46) KDM4EGAAHSD17B10MEN1KMT2A
SCHEMBL17420565 0.72 POLB (0.47) TP53POLBELANESMN1; SMN2ALDH1A1
SCHEMBL17420469 0.71 POLB (0.46) TP53POLBELANEHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723731-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS INC (US) 2017-10-25 — — EP disclosed
US-8940735-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-8883797-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-01-10 — — US disclosed
WO-2012177728-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
WO-2012177725-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — WO disclosed
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-12-27 — — 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 (2 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-20130012503-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TP53 2109/4885MAOB 246/4885POLB 1777/4885
US-20120329802-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TP53 2109/4885MAOB 246/4885POLB 1777/4885

“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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