SCHEMBL4674175

SCHEMBL4674175

O=C(c1ccccc1)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.34
PTGS2 P35354 2/20 0.33
POLB P06746 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA2 P17301 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH3A1 P30838 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP8 P22894 2/20 0.32
RORC P51449 1/20 0.32
MMP3 P08254 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4672034 0.93 PTGDR2 (0.34) PTGDR2PTGS2POLBITGB1ITGA2
SCHEMBL4678102 0.91 CA2 (0.35) PTGS2ALDH3A1CYP2C19MMP8MMP3
SCHEMBL4678991 0.91 RORC (0.33) PTGDR2KMT2ACYP2C8CYP2C9CYP2C19
SCHEMBL4676526 0.87 KMT2A (0.32) PTGDR2KMT2ACYP2C8CYP2C9CYP2C19
SCHEMBL4676191 0.85 PTGS2 (0.35) PTGS2POLBITGB1ITGA2KMT2A
SCHEMBL4673793 0.85 CES1 (0.38) PTGDR2PTGS2KMT2AALDH3A1CYP2C8
SCHEMBL4676091 0.84 CHRNA7 (0.40) PTGDR2PTGS2KMT2ACYP2C8CYP2C9
SCHEMBL4671561 0.84 CA2 (0.35) PTGS2ALDH3A1CYP2C19MMP8MMP3
SCHEMBL4674859 0.83 NOD2 (0.35) PTGDR2CYP2C8CYP2C9CYP2C19RORC
SCHEMBL4674741 0.82 PPME1 (0.38) KMT2AALDH3A1MMP8RORCMMP3

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 6 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
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 PTGDR2 4591/4885PTGS2 4586/4885POLB 58/4885

“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.