SCHEMBL21776971

SCHEMBL21776971

FC(F)(F)c1cc(-c2nnco2)ccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 1.00
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL21776856 0.81 NOTUM (1.00) NOTUMHPGDLMNA
SCHEMBL30412767 0.77 NOTUM (1.00) NOTUM
SCHEMBL21776973 0.77 NOTUM (1.00) NOTUM
SCHEMBL1459174 0.76 TSHR (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL17148987 0.76 NOTUM (0.60) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL22325375 0.76 NOTUM (0.60) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL30221689 0.76 TSHR (0.62) NOTUMTSHRALDH1A1HPGDMAPK1
SCHEMBL23451698 0.76 NOTUM (1.00) NOTUMKDM4ELMNA
SCHEMBL30412199 0.76 NOTUM (1.00) NOTUMKDM4ELMNA
SCHEMBL21776978 0.75 NOTUM (0.81) NOTUMKDM4ELMNA

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
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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 (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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885TSHR 4585/4885ALDH1A1 1260/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885TSHR 4463/4885ALDH1A1 658/4885

“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.