SCHEMBL8529960

SCHEMBL8529960

CCn1c(C(F)(F)F)n[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.33
MAOB P27338 1/20 0.32
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDE4A P27815 2/20 0.30
ADORA2A P29274 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8527189 0.77 KDM4E (0.50) KDM4EALDH1A1CYP1A2GAAAPOBEC3G
SCHEMBL1555139 0.74 CYP1A2 (0.38) CYP1A2POLBL3MBTL1
Iodide SCHEMBL6324119 0.72 CYP1A2 (0.37) CYP1A2POLBL3MBTL1
SCHEMBL3520507 0.71
SCHEMBL30366081 0.71 CYP1A2 (0.33) CYP1A2POLBL3MBTL1
SCHEMBL23863066 0.69
SCHEMBL6496071 0.69 ALDH1A1 (0.32) ALDH1A1CYP1A2POLBL3MBTL1
SCHEMBL8604420 0.69 KDM4E (0.41) KDM4EALDH1A1CYP1A2POLBGAA
SCHEMBL9204184 0.69
SCHEMBL8647302 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP disclosed
US-9981940-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-26 US disclosed
US-5739349-A CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0661277-B1 Process for making triazolines and new untermediates used therein BAYER AG (DE) 1998-03-11 EP disclosed
US-5688963-A CHEMICAL INTERMEDIATES FOR PREPARATION OF HERBICIDES AND INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
EP-0657437-B1 Process and novel intermediates for the preparation of triazolinones BAYER AG (DE) 1997-08-27 EP disclosed
US-5639891-A HERBICIDES; INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-06-17 US disclosed
US-5508420-A REACTING TRIAZOLINETHIONE WITH OXIDANT, REACTING FORMED TRIAZOLESULFONIC ACID WITH WATER TO FORM TRIAZOLINONE BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5475115-A Reacting sulfonyltriazole with alkali hydroxide followed by acidification BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0661277-A1 Process for making triazolines and new untermediates used therein BAYER AG (DE) 1995-07-05 EP disclosed
EP-0657437-A1 Process and novel intermediates for the preparation of triazolinones BAYER AG (DE) 1995-06-14 EP 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-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR KDM4E 1804/4885ALDH1A1 100/4885CYP1A2 79/4885

“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.