SCHEMBL4671017

SCHEMBL4671017

O=C(C=C(O)c1nc[nH]n1)c1ccc(S(=O)(=O)c2ccc(F)cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.34
KCNH2 Q12809 4/20 0.34
HTR2C P28335 1/20 0.34
POLB P06746 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAPT P10636 1/20 0.31
SGMS1 Q86VZ5 1/20 0.30
NAMPT P43490 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
SCHEMBL4680306 0.89 KDM4E (0.32) AKR1B1MAPTSGMS1NAMPT
SCHEMBL4674808 0.83 CXCR3 (0.34) HTR2AKCNH2HTR2CAKR1B1MAPT
SCHEMBL4674481 0.82 HTR2A (0.32) HTR2AKCNH2HTR2CAKR1B1MAPT
SCHEMBL4671201 0.81 BRAF (0.30) AKR1B1
SCHEMBL4674008 0.81 ALDH1A1 (0.43) POLBMAPT
SCHEMBL4675081 0.80 LMNA (0.36) POLBMAPT
S-1360 SCHEMBL3221454 0.79 CYP1A2 (0.36) POLBMAPT
S-1360 SCHEMBL10070153 0.79 CYP1A2 (0.36) POLBMAPT
SCHEMBL4671369 0.79 AKR1B1 (0.31) HTR2AKCNH2AKR1B1NAMPT
SCHEMBL4678744 0.78 ALOX5 (0.39) MAPT

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 6 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
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 HTR2A 441/4885KCNH2 3174/4885HTR2C 529/4885

“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.