SCHEMBL4677429

SCHEMBL4677429

CC(=O)c1ccc(Cn2cc(C(=O)C=C(O)C(=O)O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
KLKB1 P03952 9/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 5/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
KLK1 P06870 2/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4676350 0.89 KLKB1 (0.49) HSD17B10KLKB1ALDH1A1KDM4EKLK1
SCHEMBL4673827 0.87 HSD17B10 (0.47) HSD17B10KLKB1ALDH1A1KDM4ELMNA
SCHEMBL4673770 0.87 KLKB1 (0.48) HSD17B10KLKB1POLBTDP1L3MBTL1
SCHEMBL4674509 0.86 LMNA (0.51) HSD17B10KLKB1ALDH1A1KDM4EHTT
SCHEMBL4672907 0.85 L3MBTL1 (0.51) HSD17B10KLKB1MEN1KMT2ALMNA
SCHEMBL4671469 0.85 HSD17B10 (0.44) HSD17B10KLKB1ALDH1A1KDM4ELMNA
SCHEMBL27286142 0.80 HSD17B10 (0.68) HSD17B10KLKB1ALDH1A1KDM4EHTT
SCHEMBL4672485 0.79 HSD17B10 (0.40) HSD17B10KLKB1ALDH1A1KDM4EHTT
SCHEMBL4674633 0.79 HSD17B10 (0.40) HSD17B10KLKB1ALDH1A1KDM4EHTT
SCHEMBL4672631 0.79 P2RY14 (0.38) HSD17B10ALDH1A1HTTMEN1KMT2A

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 HSD17B10 241/4885KLKB1 3843/4885ALDH1A1 980/4885

“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.