SCHEMBL19985855

SCHEMBL19985855

O=Cc1c(F)cc(CO)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ERN1 O75460 2/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
KDM4E B2RXH2 2/20 0.33
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
AOX1 Q06278 1/20 0.32
KIF11 P52732 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
EGFR P00533 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL12109792 0.77 CYP3A4 (0.34) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL14683279 0.77
SCHEMBL1249626 0.74 PIK3CD (0.32) EGFR
SCHEMBL2642236 0.73 ACHE (0.42) ACHECYP4F2CYP4A11KDM4ECASP6
SCHEMBL604311 0.73 ERN1 (0.41) ERN1CA12CA1CA9
SCHEMBL4420463 0.73 ALDH1A1 (0.44) ACHEERN1KDM4ECASP6MEN1
SCHEMBL10705397 0.73 KDM4E (0.39) ACHEERN1KDM4ECASP6MEN1
SCHEMBL23785511 0.72 CYP3A4 (0.34) KDM4E
SCHEMBL22437205 0.72 IGF1R (0.37) ERN1MEN1ALDH1A1HPGDKMT2A
SCHEMBL11886147 0.72 CYP4F2 (0.42) ERN1CYP4F2CYP4A11KIF11EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-02-29 US disclosed
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-02-29 US disclosed
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-02-29 US disclosed
EP-4243816-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2023-09-20 EP disclosed
WO-2022104206-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2022-05-19 WO disclosed
WO-2022104206-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2022-05-19 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 US 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-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, NUAK1, NUAK2 ACHE 1060/4885ERN1 525/4885CYP4F2 4634/4885
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 ACHE 3031/4885ERN1 3801/4885CYP4F2 525/4885

“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.