SCHEMBL4594989

SCHEMBL4594989

O=[N+]([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
GPR35 Q9HC97 2/20 0.50
KIF11 P52732 4/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KCNMA1 Q12791 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SLC6A2 P23975 1/20 0.43
P2RY14 Q15391 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL1024910 0.86 GPR35 (0.56) TTRGPR35MAPTALDH1A1CYP3A4
SCHEMBL6823350 0.86 GPR35 (0.56) TTRGPR35MAPTALDH1A1CYP3A4
SCHEMBL29878635 0.86 GPR35 (0.46) TTRGPR35KIF11MAPTKCNMA1
SCHEMBL9198198 0.84 GPR35 (0.67) GPR35MAPTALDH1A1CYP3A4HPGD
SCHEMBL29490141 0.84 GPR35 (0.67) GPR35MAPTALDH1A1CYP3A4HPGD
SCHEMBL3900786 0.83 TDP1 (0.55) TTRKIF11MAPTALDH1A1CYP3A4
SCHEMBL11034321 0.82 KIF11 (0.46) TTRGPR35KIF11MAPTALDH1A1
SCHEMBL11271221 0.80 TTR (0.50) TTRGPR35KIF11MAPTALDH1A1
SCHEMBL4596863 0.80 TTR (0.43) TTRKIF11MAPTALDH1A1CYP3A4
SCHEMBL11375180 0.80 QDPR (0.56) GPR35MAPTALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124485-B Sulfoxide-containing benzoxazole derivative, and preparation method and application thereof 中国医学科学院药物研究所 2023-12-15 CN disclosed
CN-115124485-A Benzoxazole derivatives containing sulfoxide as well as preparation method and application thereof 中国医学科学院药物研究所 2022-09-30 CN disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 TTR 3816/4885GPR35 3935/4885KIF11 562/4885

“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.