SCHEMBL4672363

SCHEMBL4672363

O=C(Cc1occc1S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTGER3 P43115 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
CNR1 P21554 1/20 0.31
PAX8 Q06710 1/20 0.31
FEN1 P39748 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL4672121 0.90 MMP2 (0.33) KMT2AALDH1A1NAMPTPTGER3KDM4E
SCHEMBL4675520 0.89 MMP1 (0.35) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL4672144 0.83 CXCR3 (0.35) KMT2AMAPTALDH1A1NAMPTPOLB
SCHEMBL4675361 0.83 NAMPT (0.33) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL4673979 0.80 NAMPT (0.33) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL4672341 0.80 SMN1; SMN2 (0.35) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL4675425 0.79 POLB (0.33) KMT2AMAPTPOLBTDP1L3MBTL1
SCHEMBL4673428 0.79 MEN1 (0.32) KMT2AMAPTL3MBTL1MEN1
SCHEMBL4677150 0.79 MAPT (0.35) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2
SCHEMBL4676016 0.78 MAPT (0.40) KMT2AMAPTALDH1A1NAMPTSMN1; SMN2

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 KMT2A 597/4885MAPT 205/4885ALDH1A1 980/4885

“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.