SCHEMBL12780378

SCHEMBL12780378

CC(C)C(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
CETP P11597 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MDM2 Q00987 1/20 0.48
EPHX2 P34913 1/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
LMNA P02545 1/20 0.47
P2RY1 P47900 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DGAT1 O75907 1/20 0.45
IDH1 O75874 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL13979 0.85 GAA (0.51) GAAKMT2AEPHX2KCNK3KCNK9
SCHEMBL14853356 0.83 ALDH1A1 (0.59) GAAKMT2AEPHX2KCNK3KCNK9
SCHEMBL5962103 0.82 POLB (0.56) GAAL3MBTL1KMT2AKDM4EEPHX2
SCHEMBL19483223 0.81 GAA (0.52) GAAL3MBTL1KMT2AEPHX2KCNK3
SCHEMBL13712 0.80 GAA (0.55) GAAKDM4EEPHX2KCNK3KCNK9
SCHEMBL13596172 0.80 POLB (0.62) MDM4TP53CETPKMT2AALDH1A1
SCHEMBL2095941 0.80 GAA (0.55) GAAEPHX2KCNK3KCNK9P2RY1
SCHEMBL2095943 0.80 GAA (0.55) GAAEPHX2KCNK3KCNK9P2RY1
SCHEMBL14850118 0.80 GAA (0.52) GAAKMT2AEPHX2KCNK3KCNK9
SCHEMBL5643498 0.79 GAA (0.55) GAAKMT2AEPHX2P2RY1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 WO disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US 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 (5 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MDM4 1616/4885TP53 1262/4885GAA 4232/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MDM4 2619/4885TP53 3166/4885GAA 4203/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 MDM4 2635/4885TP53 1646/4885GAA 694/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 MDM4 4465/4885TP53 4852/4885GAA 297/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 MDM4 4465/4885TP53 4852/4885GAA 297/4885

“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.