SCHEMBL6798412

SCHEMBL6798412

CCOC(=O)CCc1cc(Cl)sc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
KAT2B Q92831 1/20 0.48
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
GSK3B P49841 1/20 0.38
CYP1A2 P05177 2/20 0.37
DAO P14920 1/20 0.37
MAPT P10636 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STING1 Q86WV6 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL2847291 0.89 CYP4F2 (0.54) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL30527968 0.83 KAT2B (0.43) KAT2BGSK3BDAOMAPTSMN1; SMN2
SCHEMBL2848641 0.78 CYP4F2 (0.51) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL6804584 0.78 GSK3B (0.43) ALDH1A1GSK3BCYP1A2DAOMAPT
SCHEMBL2855739 0.77 CYP4F2 (0.53) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL2847223 0.77 CYP4F2 (0.50) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL2849263 0.77 CYP4F2 (0.50) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL2850923 0.77 CYP4F2 (0.50) CYP4F2CYP4A11KAT2BALDH1A1CYP1A2
SCHEMBL6804241 0.77 GSK3B (0.40) ALDH1A1GSK3BCYP1A2DAOMAPT
SCHEMBL23111601 0.75 GSK3B (0.44) GSK3BDAOMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR CYP4F2 1045/4885CYP4A11 1775/4885KAT2B 2161/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 CYP4F2 971/4885CYP4A11 1621/4885KAT2B 1954/4885

“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.