SCHEMBL22980803

SCHEMBL22980803

COC(=O)c1ccc(F)c(OC(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
MAPT P10636 3/20 0.47
TTR P02766 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PYGL P06737 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL6581028 0.87 HTT (0.50) NOTUMMAPTCA12CA1CA2
SCHEMBL31475537 0.87 HTT (0.50) NOTUMMAPTCA12CA1CA2
SCHEMBL30116888 0.84 NOTUM (0.58) NOTUMMAPTCA12CA1CA2
SCHEMBL3738587 0.84 MAPT (0.64) MAPTCA12CA1CA2CA7
SCHEMBL22954276 0.84 MAPT (0.64) MAPTCA12CA1CA2CA7
SCHEMBL30740897 0.84 CA12 (0.59) NOTUMMAPTCA12CA1CA2
SCHEMBL2531132 0.84 NOTUM (0.58) NOTUMMAPTCA12CA1CA2
SCHEMBL157203 0.83 MAPT (0.62) NOTUMMAPTTTRCA12CA1
SCHEMBL2297062 0.83 NOTUM (0.51) NOTUMMAPTCA12CA1CA2
SCHEMBL3988566 0.83 MAPT (0.53) NOTUMMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 NOTUM 3329/4885MAPT 3084/4885TTR 4872/4885

“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.