SCHEMBL3564048

SCHEMBL3564048

O=C(Cc1c(F)cccc1F)N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
MAPK8 P45983 1/20 0.36
KMT2A Q03164 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
CA5A P35218 1/20 0.35
GLS O94925 2/20 0.35
DNMT3B Q9UBC3 1/20 0.35
ADRA2A P08913 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA2B P18089 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
SCHEMBL3627016 0.86 MAPT (0.33) CES2CES1MAPTTP53KMT2A
SCHEMBL3573836 0.81 ALDH1A1 (0.42) MAPK8KMT2AKDM4EMEN1LMNA
SCHEMBL3561938 0.79 KMT2A (0.57) MAPTKMT2AADRA2AKDM4EMEN1
SCHEMBL4326274 0.75 MIF (0.54) MAPK8KMT2AGLSMEN1MAPK1
SCHEMBL105873 0.73 MIF (0.48) KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6864858 0.72 CES2 (0.48) CES2CES1MAPTTP53MAPK8
SCHEMBL371856 0.72 CES1 (0.50) CES2CES1KMT2AMEN1LMNA
SCHEMBL5825610 0.72 CES2 (0.50) CES2CES1KMT2AMEN1LMNA
SCHEMBL15241368 0.71 AKR1B1 (0.55) HTR1ACYP2D6HIF1A
SCHEMBL503912 0.70 AKR1B1 (0.56) CES2CES1MAPTTP53MAPK8

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
WO-2013111798-A1 SERINE RACEMASE INHIBITOR 国立大学法人 富山大学 (JP) 2013-08-01 WO disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
EP-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
EP-1781664-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2007-05-09 EP disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 US disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 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 (5 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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 CES2 2768/4885CES1 42/4885MAPT 2342/4885
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CES2 4799/4885CES1 3676/4885MAPT 2430/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 CES2 4799/4885CES1 3676/4885MAPT 2430/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 CES2 4799/4885CES1 3676/4885MAPT 2430/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 CES2 4798/4885CES1 3680/4885MAPT 2320/4885

“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.