SCHEMBL4671016

SCHEMBL4671016

CCOC(=O)c1cc(C(=O)C=C(O)c2nc[nH]n2)n(Cc2ccc(F)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
THRB P10828 1/20 0.37
OPRD1 P41143 1/20 0.37
RECQL P46063 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
P2RY12 Q9H244 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4676299 0.94 MAPT (0.39) MAPTALDH1A1POLBHTTCA12
SCHEMBL4674310 0.93 SMN1; SMN2 (0.40) MAPTALDH1A1POLBTHRBRECQL
SCHEMBL4676422 0.90 OPRD1 (0.41) MAPTALDH1A1THRBOPRD1P2RY12
SCHEMBL4676476 0.90 MAPT (0.42) MAPTOPRD1P2RY12NPC1LMNA
SCHEMBL4676028 0.90 MAPK10 (0.40) MAPTALDH1A1POLBRECQLMAPK10
SCHEMBL4673271 0.89 CA12 (0.39) MAPTALDH1A1POLBHTTCA12
SCHEMBL4672591 0.89 CA12 (0.42) MAPTPOLBCA12CA1CA2
SCHEMBL4673424 0.86 MAPT (0.38) MAPTALDH1A1POLBHTTCA12
SCHEMBL4675068 0.86 SMN1; SMN2 (0.41) MAPTALDH1A1POLBRECQLMAPK10
SCHEMBL4676074 0.86 CA12 (0.39) MAPTALDH1A1POLBCA12CA1

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 MAPT 205/4885ALDH1A1 980/4885POLB 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.