SCHEMBL17081283

SCHEMBL17081283

O=S(=O)(Oc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3ccccc3c12)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 2/20 0.34
▸ CDC14A Q9UNH5 2/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ GGPS1 O95749 1/20 0.32
▸ PRKDC P78527 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAPK3 P27361 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ ABCG2 Q9UNQ0 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
SCHEMBL17081270 0.87 ABCG2 (0.31) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL18383250 0.83 ALOX5 (0.41) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL17081285 0.81 ALOX5 (0.50) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL12206336 0.81 ALOX5 (0.43) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL12206320 0.81 ALOX5 (0.44) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL17081240 0.80 ALOX5 (0.40) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL16596207 0.80 ALOX5 (0.42) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL18383253 0.80 CA12 (0.34) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL24658098 0.79 ALOX5 (0.41) CDC14BCDC14AALOX5PTGES2GGPS1
SCHEMBL18164852 0.79 ALOX5 (0.39) CDC14BCDC14AALOX5PTGES2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114102-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
WO-2015131976-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-09-11 — — 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-20170018710-A1 MATERIALS FOR ELECTRONIC DEVICES EED, OCIAD2, JUND CDC14B 4343/4885CDC14A 3814/4885ALOX5 637/4885

“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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