SCHEMBL4675965

SCHEMBL4675965

CCOC(=O)c1cc(C(=O)C=C(O)c2nn[nH]n2)cn1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
LMNA P02545 2/20 0.38
CHRNA7 P36544 4/20 0.36
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL4676091 0.93 CHRNA7 (0.40) NOD2NOD1LMNACHRNA7PTGS2
SCHEMBL4676526 0.88 KMT2A (0.32) LMNAKMT2ACYP2C8CYP2C19PTGDR2
SCHEMBL4676188 0.87 NOD2 (0.42) NOD2NOD1LMNACHRNA7PTGS2
SCHEMBL4672034 0.84 PTGDR2 (0.34) PTGS2KMT2ACYP2C8CYP2C19PTGDR2
SCHEMBL4678991 0.84 RORC (0.33) LMNAKMT2ACYP2C8CYP2C19PTGDR2
SCHEMBL4674859 0.83 NOD2 (0.35) NOD2NOD1LMNACYP2C8CYP2C19
SCHEMBL4671692 0.83 POLB (0.39) LMNAALDH1A1CA1CA2CA9
SCHEMBL4674175 0.81 PTGDR2 (0.34) PTGS2KMT2ACYP2C8CYP2C19PTGDR2
SCHEMBL4671826 0.80 CHRNA7 (0.41) NOD2NOD1LMNACHRNA7PTGS2
SCHEMBL4673202 0.78 CA2 (0.34) LMNAALDH1A1CA2CA9CYP2C19

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
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 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 (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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 NOD2 3125/4885NOD1 1223/4885LMNA 659/4885

“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.