SCHEMBL4675741

SCHEMBL4675741

O=C(O)C(O)=CC(=O)c1nc(Cc2ccccc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC8 Q9BY41 1/20 0.38
BRD4 O60885 2/20 0.37
C1S P09871 1/20 0.36
ADAM17 P78536 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
PTPRB P23467 1/20 0.34
NOS1 P29475 1/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 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
SCHEMBL4675737 1.00 PTGER1 (0.41) PTGER1HDAC1HDAC6HDAC8BRD4
SCHEMBL4676282 0.89 PTGER1 (0.33) PTGER1HDAC1HDAC6KDM4EHPGD
SCHEMBL4676279 0.89 PTGER1 (0.33) PTGER1HDAC1HDAC6KDM4EHPGD
SCHEMBL4676899 0.88 RAB9A (0.39) PTGER1KDM4EMAPTRAB9ANPC1
SCHEMBL4671473 0.88 LMNA (0.42) HDAC1HDAC6KDM4EMAPTRAB9A
SCHEMBL4672538 0.88 HDAC1 (0.37) PTGER1HDAC1HDAC6KDM4EL3MBTL1
SCHEMBL4671477 0.88 LMNA (0.42) HDAC1HDAC6KDM4EMAPTRAB9A
SCHEMBL4676901 0.88 RAB9A (0.39) PTGER1KDM4EMAPTRAB9ANPC1
SCHEMBL4672541 0.88 HDAC1 (0.37) PTGER1HDAC1HDAC6KDM4EL3MBTL1
SCHEMBL4672059 0.86 KDM4E (0.42) PTGER1HDAC1HDAC6KDM4EMAPT

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 PTGER1 4379/4885HDAC1 250/4885HDAC6 1000/4885

“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.