SCHEMBL14636222

SCHEMBL14636222

CC(C)(c1ccc(C=O)cc1F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.35
NR3C1 P04150 2/20 0.34
NR3C2 P08235 2/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
PGR P06401 1/20 0.34
CYP2A6 P11509 1/20 0.33
HPGD P15428 2/20 0.33
PTGER4 P35408 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33

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
SCHEMBL18230875 0.85 KIF11 (0.54) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL30874807 0.83 KIF11 (0.51) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL16846737 0.83 KIF11 (0.51) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL48409 0.81 KIF11 (0.73) KIF11ALDH1A1SMN1; SMN2PTGS2KDM4E
SCHEMBL29438427 0.81 KIF11 (0.73) KIF11ALDH1A1SMN1; SMN2PTGS2KDM4E
SCHEMBL309292 0.76 KIF11 (0.45) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL3034920 0.76 KIF11 (0.51) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL12981040 0.72 KIF11 (0.42) KIF11ALDH1A1SMN1; SMN2NR3C1NR3C2
SCHEMBL13496965 0.72 PTGS2 (0.43) KIF11ALDH1A1SMN1; SMN2TSHRPTGS2
SCHEMBL12185142 0.72 CYP11B1 (0.37) KIF11

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 KIF11 4603/4885ALDH1A1 721/4885SMN1; SMN2 3884/4885

“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.