SCHEMBL4673770

SCHEMBL4673770

O=C(O)C(O)=CC(=O)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.46
RIPK1 Q13546 1/20 0.46
SCD5 Q86SK9 1/20 0.44
CREBBP Q92793 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PSD A5PKW4 1/20 0.43
HDAC2 Q92769 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4671469 0.89 HSD17B10 (0.44) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL4673827 0.89 HSD17B10 (0.47) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL4674509 0.88 LMNA (0.51) KLKB1HSD17B10CREBBPHDAC3HDAC8
SCHEMBL4676350 0.88 KLKB1 (0.49) KLKB1L3MBTL1POLBHSD17B10
SCHEMBL4677429 0.87 HSD17B10 (0.48) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL4674992 0.86 KLKB1 (0.48) KLKB1L3MBTL1POLBTDP1SCD5
SCHEMBL4672907 0.85 L3MBTL1 (0.51) KLKB1L3MBTL1HSD17B10
SCHEMBL15309597 0.84 L3MBTL1 (0.51) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL4671170 0.83 CREBBP (0.47) L3MBTL1POLBCREBBP
SCHEMBL4671192 0.83 ALDH1A1 (0.54) KLKB1L3MBTL1SCD5

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 KLKB1 3843/4885L3MBTL1 1170/4885POLB 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.