SCHEMBL4670964

SCHEMBL4670964

O=C(Cc1ccsc1Cc1ccc(F)cc1)C(=O)c1nn[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.34
MAPK10 P53779 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMEL1 Q495T6 1/20 0.31
CES1 P23141 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CXCR3 P49682 1/20 0.31
HTT P42858 1/20 0.31
PIN1 Q13526 1/20 0.31
MAPT P10636 1/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL4676982 0.91 MAPK8 (0.34) MAPK8MAPK10POLBTDP1MMEL1
SCHEMBL4674815 0.89 MAPK8 (0.36) MAPK8MAPK10POLBCES1NCEH1
SCHEMBL4670713 0.89 MAPK8 (0.34) MAPK8MAPK10CES1NCEH1
SCHEMBL4675661 0.89 CES1 (0.42) MAPK8MAPK10MMEL1CES1NCEH1
SCHEMBL4674274 0.88 MAPK8 (0.32) MAPK8MAPK10CES1NCEH1MAPT
SCHEMBL4671231 0.87 FFAR2 (0.39) MAPK8CES1NCEH1PTGDR2PIN1
SCHEMBL4676795 0.87 XDH (0.39) MAPK8MAPK10CES1NCEH1
SCHEMBL4677637 0.86 MAPK8 (0.49) MAPK8MAPK10POLBHTTMAPT
SCHEMBL4670696 0.83 MAPK8 (0.36) MAPK8MMEL1CES1NCEH1PTGDR2
SCHEMBL4677106 0.82 MEN1 (0.35) MAPK8POLBMAPT

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 MAPK8 2178/4885MAPK10 4133/4885POLB 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.