SCHEMBL3380576

SCHEMBL3380576

NNc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KIF11 P52732 2/20 0.46
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
PDE2A O00408 3/20 0.42
MPL P40238 2/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38

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
Hydrochloric Acid SCHEMBL21617978 0.98 IDO1 (0.47) CA1CA2CA9KIF11IDO1
SCHEMBL21621721 0.83 MEN1 (0.47) CA1CA2CA9KIF11IDO1
SCHEMBL20962580 0.82 CA1 (0.46) CA1CA2CA9KIF11ALDH1A1
Hydrochloric Acid SCHEMBL3640197 0.82 IDO1 (0.47) CA1CA2CA9KIF11IDO1
Hydrochloric Acid SCHEMBL20820047 0.80 CA1 (0.44) CA1CA2CA9KIF11ALDH1A1
Hydrochloric Acid SCHEMBL30453321 0.80 CA1 (0.44) CA1CA2CA9KIF11ALDH1A1
SCHEMBL11406449 0.79 KIF11 (0.46) KIF11IDO1ALDH1A1MAPTMEN1
SCHEMBL9230325 0.79 PDE2A (0.46) KIF11IDO1ALDH1A1MAPTMEN1
SCHEMBL31757615 0.79 PDE2A (0.46) KIF11IDO1ALDH1A1MAPTMEN1
SCHEMBL15955512 0.78 ALDH1A1 (0.42) CA2KIF11IDO1ALDH1A1MAPT

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-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 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-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CA1 4094/4885CA2 698/4885CA9 1348/4885

“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.