SCHEMBL14638455

SCHEMBL14638455

Cc1cc(/C(F)=C/c2ccc(OC(F)(F)F)c(F)c2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 15/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MMP9 P14780 1/20 0.32

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
SCHEMBL14638456 1.00 PDE2A (0.36) PDE2AEPHX2TUBB1CTSDBACE1
SCHEMBL14638285 0.87 SLC1A5 (0.36) PDE2ADAOHCAR2MMP9
SCHEMBL14638283 0.87 SLC1A5 (0.36) PDE2ADAOHCAR2MMP9
SCHEMBL14638177 0.83 POLB (0.39) CTSDBACE1BACE2DAOHCAR2
SCHEMBL14638178 0.83 POLB (0.39) CTSDBACE1BACE2DAOHCAR2
SCHEMBL15010267 0.79 DAO (0.33) DAOHCAR2
SCHEMBL14653532 0.79 DAO (0.33) DAOHCAR2
SCHEMBL14637852 0.76 DHODH (0.47) DAOHCAR2
SCHEMBL14637910 0.74 DAO (0.40) DAOHCAR2MMP9
SCHEMBL14637909 0.74 DAO (0.40) DAOHCAR2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 — — EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 — — US disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — WO disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 — — 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-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A PDE2A 1922/4885EPHX2 2074/4885TUBB1 606/4885

“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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