SCHEMBL24710096

SCHEMBL24710096

CCOC(=O)c1cc(C(C)(C)F)on1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
IDO1 P14902 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MLYCD O95822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACR P10323 1/20 0.39

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
SCHEMBL3760681 0.91 CYP1A2 (0.44) CYP1A2IDO1HDAC4HDAC6KMT2A
SCHEMBL410530 0.89 IDO1 (0.46) CYP1A2IDO1HDAC4HDAC6KMT2A
SCHEMBL352509 0.87 MAPK1 (0.49) CYP1A2KMT2AMEN1MAPTMAPK1
SCHEMBL10044257 0.87 MLYCD (0.43) CYP1A2IDO1HDAC4HDAC6KMT2A
SCHEMBL1807034 0.86 CYP1A2 (0.45) CYP1A2KMT2AMEN1MAPTMAPK1
SCHEMBL13887373 0.85 MLYCD (0.49) CYP1A2IDO1HDAC4HDAC6KMT2A
SCHEMBL14067391 0.83 CYP1A2 (0.42) CYP1A2KMT2AMEN1MAPTMAPK1
SCHEMBL23189038 0.82 MAPT (0.47) CYP1A2MAPTALDH1A1MLYCDSMN1; SMN2
SCHEMBL15956383 0.80 MAPT (0.45) CYP1A2IDO1MAPTALDH1A1MLYCD
SCHEMBL2331928 0.79 CYP1A2 (0.39) CYP1A2KMT2AMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 EP disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-02-02 US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 US disclosed
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 WO disclosed
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 WO disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 WO disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 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 (3 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 CYP1A2 318/4885IDO1 1238/4885HDAC4 1428/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CYP1A2 318/4885IDO1 1238/4885HDAC4 1428/4885
US-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 CYP1A2 318/4885IDO1 1238/4885HDAC4 1428/4885

“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.