SCHEMBL14844360

SCHEMBL14844360

C[N+]#Cc1c(OC(F)F)cccc1S(=O)(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
DRD1 P21728 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
CYP1A2 P05177 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
TNF P01375 1/20 0.30
ALDH3A1 P30838 1/20 0.30

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
SCHEMBL168370 0.84 SLC22A12 (0.40) SLC22A12ALDH1A1PTGES2L3MBTL1
SCHEMBL29572114 0.84 SLC22A12 (0.40) SLC22A12ALDH1A1PTGES2L3MBTL1
SCHEMBL28170661 0.78 SLC22A12 (0.50) SLC22A12NR1I2ALDH1A1PTGES2DRD1
SCHEMBL29572421 0.70 SLC22A12 (0.38) SLC22A12ALDH1A1PTGES2TSHRTRPV4
SCHEMBL168868 0.70 SLC22A12 (0.38) SLC22A12ALDH1A1PTGES2TSHRTRPV4
SCHEMBL5323794 0.68 SLC22A12 (0.39) SLC22A12PTGES2TRPV4
SCHEMBL15461580 0.68 EPAS1 (0.45) SLC22A12PTGES2TRPV4
SCHEMBL5528618 0.66 L3MBTL1 (0.46) SLC22A12ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL646910 0.65 TRPV4 (0.47) SLC22A12PTGES2TRPV4
SCHEMBL29572365 0.65 ALDH1A1 (0.48) SLC22A12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763528-B1 PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME BAYER IP GMBH (DE) 2018-07-04 EP disclosed
US-9204639-B2 Pesticide preparation and process for producing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20140228220-A1 PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
EP-2763528-A1 PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050433-A1 PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 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-20140228220-A1 PESTICIDE PREPARATION AND PROCESS FOR PRODUCING THE SAME DDT, ACHE, HEATR6 SLC22A12 2937/4885NR1I2 4357/4885ALDH1A1 1692/4885

“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.