SCHEMBL2362846

SCHEMBL2362846

Cn1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.61
SORT1 Q99523 5/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CTSL P07711 1/20 0.34
KLKB1 P03952 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
KCNT1 Q5JUK3 1/20 0.32

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
SCHEMBL2355530 0.89 GRN (0.67) GRNSORT1KDM4EMAPTCA12
SCHEMBL17920 0.82 GRN (0.71) GRNSORT1KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8932269 0.80 GRN (0.69) GRNSORT1KDM4EALDH1A1CYP3A4
SCHEMBL26250857 0.79 GRN (0.67) GRNSORT1KDM4EMAPTCA12
SCHEMBL2362847 0.78 ALDH1A1 (0.39) GRNSORT1KDM4EALDH1A1NPC1
SCHEMBL1572486 0.76 GRN (1.00) GRNSORT1KDM4EMAPTCTSL
SCHEMBL22649482 0.75 GRN (0.61) GRNSORT1KDM4EMAPTCA12
SCHEMBL22649287 0.75 GRN (0.61) GRNSORT1KDM4EMAPTCA12
Hydrochloric Acid SCHEMBL8760885 0.75 GRN (0.96) GRNSORT1KDM4EMAPTCTSL
SCHEMBL22649229 0.74 GRN (0.64) GRNSORT1KDM4EMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 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 (2 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 GRN 3116/4885SORT1 4798/4885KDM4E 2403/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 GRN 3541/4885SORT1 4777/4885KDM4E 1987/4885

“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.