SCHEMBL4675836

SCHEMBL4675836

CCOC(=O)c1cc(C(=O)C=C(O)c2nn[nH]n2)cn1Cc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 1/20 0.37
OPRD1 P41143 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
P2RY14 Q15391 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GNRHR P30968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4674244 0.94 OPRD1 (0.39) PTGDR2TP53OPRD1LMNAGLA
SCHEMBL4671692 0.91 POLB (0.39) PTGDR2LMNAAGTR1SMN1; SMN2POLB
SCHEMBL4676597 0.89 KDM4C (0.37) PTGDR2LMNASMN1; SMN2P2RY14ALDH1A1
SCHEMBL4678137 0.87 OPRD1 (0.39) TP53OPRD1LMNAGLASMN1; SMN2
SCHEMBL4674364 0.87 SMN1; SMN2 (0.41) LMNAAGTR1SMN1; SMN2POLBMAPT
SCHEMBL4672190 0.86 KDM4C (0.38) PTGDR2LMNASMN1; SMN2POLBP2RY14
SCHEMBL5899353 0.86 USP2 (0.37) LMNAAGTR1SMN1; SMN2POLBMAPT
SCHEMBL4675435 0.86 PTGDR2 (0.39) PTGDR2OPRD1LMNAAGTR1SMN1; SMN2
SCHEMBL4677008 0.86 KDM4C (0.40) PTGDR2LMNASMN1; SMN2P2RY14ALDH1A1
SCHEMBL4679072 0.86 KMT2A (0.39) PTGDR2TP53LMNAAGTR1SMN1; SMN2

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

“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.