SCHEMBL22326604

SCHEMBL22326604

Cc1cnc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.64
COPS5 Q92905 2/20 0.64
KDM4E B2RXH2 1/20 0.59
CCR1 P32246 2/20 0.57
CCR5 P51681 2/20 0.57
CCR8 P51685 2/20 0.57
PARP1 P09874 2/20 0.51
CYP1A2 P05177 1/20 0.47
SLC40A1 Q9NP59 6/20 0.46
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
ESR1 P03372 1/20 0.38
MDM2 Q00987 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL27991417 0.84 PSMD14 (0.57) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL22326602 0.81 PSMD14 (0.41) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL3051052 0.81 PSMD14 (0.41) PSMD14COPS5KDM4EPARP1SLC40A1
SCHEMBL8547571 0.81 PSMD14 (0.41) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL13587039 0.79 CCR1 (0.58) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL23717257 0.78 PSMD14 (0.42) PSMD14COPS5KDM4EPARP1NR1H2
SCHEMBL24987024 0.78 PARP1 (0.55) PSMD14COPS5KDM4EPARP1CYP1A2
SCHEMBL3718782 0.78 KDM4E (0.62) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL3067414 0.78 PSMD14 (1.00) PSMD14COPS5KDM4ECCR1CCR5
SCHEMBL13301166 0.77 PSMD14 (0.62) PSMD14COPS5KDM4ECCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 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 (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-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 PSMD14 2765/4885COPS5 773/4885KDM4E 347/4885

“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.