SCHEMBL4673341

SCHEMBL4673341

O=C(C=C(O)c1nc[nH]n1)c1ccnn1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.35
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
F2 P00734 1/20 0.32
CTSB P07858 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR2 Q13324 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM4 Q14833 1/20 0.32
PKM P14618 1/20 0.31
AKR1C3 P42330 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4673637 0.90 ALDH1A1 (0.41) KMT2AMAPTLMNAALDH1A1MAPK1
SCHEMBL4674323 0.83 KMT2A (0.33) RORCKMT2AMAPTLMNAALDH1A1
SCHEMBL4671824 0.81 PPME1 (0.38) RORCGRM4PKMGAA
SCHEMBL4673557 0.79 KMT2A (0.32) KMT2A
SCHEMBL4671755 0.79 NR3C2 (0.40) MAPTLMNAALDH1A1PKMSMN1; SMN2
SCHEMBL4676683 0.79 MAPT (0.39) RORCKMT2AMAPTLMNAALDH1A1
SCHEMBL4672230 0.78 KMT2A (0.33) RORCKMT2AMAPTLMNAALDH1A1
SCHEMBL4674349 0.77 GRM4 (0.40) KMT2AALDH1A1GRM4PKMAKR1C3
SCHEMBL4671111 0.77 AKR1C3 (0.38) KMT2AMAPTLMNAALDH1A1MAPK1
SCHEMBL4671158 0.77 KMT2A (0.32) KMT2AAKR1C3GAA

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 RORC 230/4885KMT2A 597/4885MAPT 205/4885

“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.