SCHEMBL4680308

SCHEMBL4680308

O=C(Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
AKR1B1 P15121 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
NAMPT P43490 2/20 0.31
KDM4E B2RXH2 4/20 0.31
PKM P14618 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
APOBEC3A P31941 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
SCHEMBL4672436 0.90 ALDH1A1 (0.33) ALDH1A1NAMPTPKM
SCHEMBL4671019 0.89 POLB (0.34) L3MBTL1POLBALDH1A1AKR1B1MAPT
SCHEMBL4676471 0.82 CXCR3 (0.35) L3MBTL1LMNAPOLBALDH1A1CYP3A4
SCHEMBL4678602 0.81 SMN1; SMN2 (0.38) KMT2ALMNAPOLBALDH1A1MAPT
SCHEMBL4677188 0.81 NAMPT (0.35) L3MBTL1KMT2APOLBALDH1A1CYP3A4
SCHEMBL4678460 0.81 L3MBTL1 (0.33) L3MBTL1KMT2APOLBALDH1A1CYP3A4
SCHEMBL4674447 0.79 POLB (0.37) KMT2ALMNAPOLBALDH1A1CYP3A4
SCHEMBL4671089 0.79 HSD17B10 (0.36) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL4677451 0.78 LOX (0.37) ALDH1A1CYP3A4MAPK1
SCHEMBL4675361 0.77 NAMPT (0.33) L3MBTL1KMT2APOLBALDH1A1CYP3A4

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 L3MBTL1 1170/4885KMT2A 597/4885LMNA 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.