SCHEMBL166516

SCHEMBL166516

C=CCSC1=c2ccccc2=NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
IDE P14735 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
PKM P14618 1/20 0.35
MAPK10 P53779 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8102526 0.72 MAP2K7 (0.42) NLRP3ALDH1A1MAPTNPSR1MAPK1
SCHEMBL1455788 0.71 HSP90AA1 (0.42) NLRP3HSP90AA1TLR9ALDH1A1MAPT
SCHEMBL13779260 0.69 L3MBTL1 (0.36) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL28458970 0.68 TGM2 (0.40) NLRP3HSP90AA1TLR9ALDH1A1MAPT
SCHEMBL9159521 0.65 MAPT (0.37) NLRP3HSP90AA1TLR9ALDH1A1MAPT
SCHEMBL11025517 0.65 PTPN1 (0.42) NLRP3ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL29161382 0.64 MAPT (0.54) NLRP3HSP90AA1TLR9ALDH1A1MAPT
SCHEMBL10628287 0.62 TGM2 (0.41) NLRP3HSP90AA1TLR9ALDH1A1MAPT
SCHEMBL10351891 0.62 MEN1 (0.48) ALDH1A1HPGDL3MBTL1MAPK1MEN1
SCHEMBL3263717 0.62 ALDH1A1 (0.36) ALDH1A1HPGDL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242934-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2016-01-26 US disclosed
EP-2424835-B1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES BAYER IP GMBH (DE) 2015-07-01 EP disclosed
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2013-10-24 US disclosed
US-8492590-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
WO-2012028162-A1 PROCESS FOR PREPARING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-2424835-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2010127786-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO 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 (2 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-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 NLRP3 3934/4885HSP90AA1 3700/4885TLR9 4372/4885
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 NLRP3 3934/4885HSP90AA1 3700/4885TLR9 4372/4885

“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.