SCHEMBL6838339

SCHEMBL6838339

COc1cc2ccccc2cc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.53
FLT4 P35916 5/20 0.53
KDR P35968 5/20 0.53
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 3/20 0.48
POLB P06746 4/20 0.47
ALDH1A1 P00352 2/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7794431 0.85 MEN1 (0.58) FLT1FLT4KDRHPGDLMNA
SCHEMBL5958915 0.74 FLT1 (0.76) FLT1FLT4KDRLMNAMAPT
SCHEMBL8661710 0.73 FLT1 (0.74) FLT1FLT4KDRHPGDLMNA
SCHEMBL9815588 0.72 CA2 (0.59) FLT1FLT4KDRHPGDKMT2A
SCHEMBL3675717 0.72 NPC1 (0.70) HPGDL3MBTL1MAPTKMT2AMEN1
SCHEMBL8654939 0.72 FLT1 (0.76) FLT1FLT4KDRHPGDLMNA
SCHEMBL7743287 0.71 MAPT (0.68) LMNAL3MBTL1MAPTKMT2AMEN1
SCHEMBL22769031 0.71 EPHX2 (0.47) HPGDLMNAL3MBTL1MAPTPKM
SCHEMBL5958982 0.71 FLT1 (0.83) FLT1FLT4KDRMAPTNPC1
SCHEMBL23909567 0.71 FLT1 (0.85) FLT1FLT4KDRHPGDMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171079-A1 Combinatorial active compound synthesis and its intermediates HAAF KLAUS (DE) 2004-09-02 US disclosed
US-20030158443-A1 Combinatorial active compound synthesis and its intermediates HAAF KLAUS (DE) 2003-08-21 US disclosed
EP-0837056-B1 Combinatorial reagent synthesis and intermediates therefor BAYER CROPSCIENCE GMBH (DE) 2003-01-08 EP disclosed
US-20020128383-A1 COMBINATORIAL ACTIVE COMPOUND SYNTHESIS AND ITS INTERMEDIATES HOECHST SCHERING AGREVO GMBH (DE) 2002-09-12 US disclosed
EP-0837056-A2 Combinatorial reagent synthesis and intermediates therefor Hoechst Schering AgrEvo GmbH (DE) 1998-04-22 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 (3 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-20040171079-A1 Combinatorial active compound synthesis and its intermediates NCL, POLR2E, NOC2L FLT1 3109/4885FLT4 3780/4885KDR 4030/4885
US-20030158443-A1 Combinatorial active compound synthesis and its intermediates NCL, POLR2E, COASY FLT1 3121/4885FLT4 3931/4885KDR 4103/4885
US-20020128383-A1 COMBINATORIAL ACTIVE COMPOUND SYNTHESIS AND ITS INTERMEDIATES NCL, POLR2E, NOC2L FLT1 3107/4885FLT4 3798/4885KDR 4058/4885

“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.