SCHEMBL29316641

SCHEMBL29316641

COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
CFTR P13569 5/20 0.50
CES2 O00748 2/20 0.46
SOS1 Q07889 1/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 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
SCHEMBL4863532 0.85 CFTR (0.55) NOTUMCFTRCES2SOS1P2RX1
SCHEMBL30343770 0.82 NOTUM (0.50) NOTUMCFTRCES2SOS1P2RX1
SCHEMBL25574138 0.79 CES2 (0.47) CES2GPR35KDM4EXDH
SCHEMBL1530144 0.78 NR5A2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2002005 0.78 CFTR (0.69) NOTUMCFTRCES2CA12CA1
SCHEMBL1995951 0.78 CES2 (0.71) NOTUMCFTRCES2TMPRSS4KDM4E
SCHEMBL30314144 0.78 NR5A2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL14880120 0.77 CES2 (0.50) CES2P2RX1KDM4EGAA
SCHEMBL16056579 0.77 CYP1A2 (0.46) NOTUMCFTRGPR35POLBTDP1
SCHEMBL25355994 0.77 CFTR (0.50) NOTUMCFTRCES2SOS1P2RX1

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
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-20230180754-A1 HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2023-06-15 US disclosed
EP-4149936-A1 HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2023-03-22 EP disclosed
WO-2021228594-A1 HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2021-11-18 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-20230180754-A1 HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS DDT, ACHE, CYCS NOTUM 283/4885CFTR 4430/4885CES2 1620/4885

“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.