SCHEMBL21776928

SCHEMBL21776928

COC(=O)CC(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
NOTUM Q6P988 3/20 0.45
HTT P42858 1/20 0.44
IDO1 P14902 2/20 0.44
PDK1 Q15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 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
SCHEMBL9859293 0.88 MEN1 (0.47) KDRMAPTLMNAGAAMEN1
SCHEMBL3328716 0.87 CCR2 (0.47) KDRMAPTLMNAGAAMEN1
SCHEMBL17290700 0.83 MEN1 (0.45) MEN1KMT2ANOTUML3MBTL1
SCHEMBL30991460 0.81 NPFFR2 (0.50) KDRMAPTLMNAGAAMEN1
SCHEMBL20702651 0.81 NPFFR2 (0.50) KDRMAPTLMNAGAAMEN1
SCHEMBL197395 0.81 NOTUM (0.62) KDRMAPTLMNAGAARAB9A
SCHEMBL4109568 0.81 HPGD (0.55) MEN1KMT2ARAB9AKDM4EL3MBTL1
SCHEMBL31266408 0.81 HPGD (0.55) MEN1KMT2ARAB9AKDM4EL3MBTL1
SCHEMBL9858945 0.80 HSD11B1 (0.45) KDRMAPTGAAKMT2ASLC6A3
SCHEMBL20702662 0.80 KDR (0.50) KDRMAPTMEN1KMT2ANPFFR2

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 6 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
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 KDR 4445/4885MAPT 1431/4885LMNA 2507/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KDR 4229/4885MAPT 315/4885LMNA 1919/4885

“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.