SCHEMBL12208232

SCHEMBL12208232

O=[N+]([O-])c1ccc(C#Cc2ccc(CO)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.40
P2RY6 Q15077 1/20 0.40
FFAR1 O14842 4/20 0.36
NR1D1 P20393 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
MMP25 Q9NPA2 1/20 0.32

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
SCHEMBL12208052 0.85 MMP2 (0.43) FFAR1NR1D1EGLN1MMP2MMP9
SCHEMBL15177264 0.80 MEN1 (0.46) NR1D1MMP2MMP9ALDH1A1L3MBTL1
SCHEMBL8532934 0.80 FBP1 (0.39) NR1D1ATG4BALDH1A1MAPT
SCHEMBL8539025 0.77 KMT2A (0.34) NR1D1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL12208206 0.72 CYP2A6 (0.50) NR1D1ALDH1A1MAPTTSHR
SCHEMBL15177304 0.72 ENO1 (0.43)
SCHEMBL16624600 0.71 TSHR (0.48) FFAR1EGLN1TSHR
SCHEMBL15177266 0.71 KMT2A (0.40) ALDH1A1L3MBTL1KDM4EMAPTHTT
SCHEMBL8538202 0.70 CYP2A6 (0.32)
SCHEMBL8538200 0.70 KCNJ1 (0.41) ALDH1A1KDM4EMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 US disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 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 (4 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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP DRD5 4418/4885P2RY6 361/4885FFAR1 1325/4885
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP DRD5 4338/4885P2RY6 374/4885FFAR1 1327/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP DRD5 4338/4885P2RY6 374/4885FFAR1 1327/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP DRD5 4338/4885P2RY6 374/4885FFAR1 1327/4885

“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.