SCHEMBL14638177

SCHEMBL14638177

Cc1cc(/C(F)=C/c2ccc(OC(F)(F)F)cc2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL14638178 1.00 POLB (0.39) POLBL3MBTL1DHODHPIM1PIM2
SCHEMBL14638455 0.83 PDE2A (0.36) DAOHCAR2CTSDBACE1BACE2
SCHEMBL14638456 0.83 PDE2A (0.36) DAOHCAR2CTSDBACE1BACE2
SCHEMBL14637852 0.82 DHODH (0.47) DHODHMAPTKMT2ADAOHCAR2
SCHEMBL14638283 0.82 SLC1A5 (0.36) POLBKMT2ADAOHCAR2SMN1; SMN2
SCHEMBL14638285 0.82 SLC1A5 (0.36) POLBKMT2ADAOHCAR2SMN1; SMN2
SCHEMBL14637909 0.81 DAO (0.40) POLBL3MBTL1MAPTKMT2ADAO
SCHEMBL14637910 0.81 DAO (0.40) POLBL3MBTL1MAPTKMT2ADAO
SCHEMBL14653504 0.80 NPC1 (0.43) POLBDHODHMAPTKMT2ADAO
SCHEMBL15009044 0.79 DAO (0.36) DHODHMAPTKMT2ADAOHCAR2

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 POLB 1016/4885L3MBTL1 3771/4885DHODH 584/4885

“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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