SCHEMBL4674244

SCHEMBL4674244

CCOC(=O)c1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2cccc(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
TP53 P04637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
AGTR1 P30556 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
THRB P10828 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RY14 Q15391 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4675836 0.94 PTGDR2 (0.38) OPRD1TP53PTGDR2MAPTLMNA
SCHEMBL4673424 0.91 MAPT (0.38) OPRD1PTGDR2MAPTLMNAAGTR1
SCHEMBL4675435 0.89 PTGDR2 (0.39) OPRD1PTGDR2MAPTLMNAAGTR1
SCHEMBL4677008 0.89 KDM4C (0.40) PTGDR2LMNASMN1; SMN2P2RY14ALDH1A1
SCHEMBL4676422 0.87 OPRD1 (0.41) OPRD1TP53MAPTLMNAGLA
SCHEMBL4677387 0.87 AGTR1 (0.40) MAPTLMNAAGTR1F2RL3SMN1; SMN2
SCHEMBL4730771 0.86 USP2 (0.40) MAPTLMNAAGTR1F2RL3L3MBTL1
SCHEMBL4674956 0.86 POLB (0.38) PTGDR2LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4676597 0.86 KDM4C (0.37) PTGDR2LMNASMN1; SMN2P2RY14ALDH1A1
SCHEMBL4673425 0.85 TP53 (0.40) TP53PTGDR2MAPTLMNAAGTR1

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 OPRD1 562/4885TP53 999/4885PTGDR2 4591/4885

“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.