SCHEMBL4680966

SCHEMBL4680966

Cc1ccc(Cc2cscc2C(=O)C=C(O)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.37
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.35
CTBP2 P56545 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4680962 1.00 SRD5A2 (0.37) SRD5A2CYP2C9LMNACTBP2PTGER4
SCHEMBL4677260 0.87 CYP2C9 (0.41) CYP2C9PTGER4PTGER2
SCHEMBL4677257 0.87 CYP2C9 (0.41) CYP2C9PTGER4PTGER2
SCHEMBL4676086 0.87 KMT2A (0.45) CYP2C9LMNAPTGER4PTGER2ALDH1A1
SCHEMBL4676089 0.87 KMT2A (0.45) CYP2C9LMNAPTGER4PTGER2ALDH1A1
SCHEMBL4673159 0.86 CYP2C9 (0.36) CYP2C9PTGER4PTGER2ALDH1A1
SCHEMBL4673157 0.86 CYP2C9 (0.36) CYP2C9PTGER4PTGER2ALDH1A1
SCHEMBL4671187 0.86 CYP2C9 (0.36) CYP2C9LMNACTBP2PTGER4PTGER2
SCHEMBL4671185 0.86 CYP2C9 (0.36) CYP2C9LMNACTBP2PTGER4PTGER2
SCHEMBL4674889 0.86 ALDH1A1 (0.40) CYP2C9LMNACTBP2ALDH1A1MAPT

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 SRD5A2 371/4885CYP2C9 74/4885LMNA 659/4885

“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.