SCHEMBL17003209

SCHEMBL17003209

O=C(O)CN=C(c1ccccc1)c1ccccc1.O=C(O)CN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 2/20 0.50
NR4A2 P43354 1/20 0.45
CES1 P23141 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL693428 1.00 HSD17B10 (0.64) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL8250205 0.83 CYP1A2 (0.55) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL5998675 0.83 L3MBTL1 (0.48) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL17003212 0.81 PRSS1 (0.44) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL6301356 0.79 CYP1A2 (0.47) HSD17B10CYP1A2CYP2D6SMN1; SMN2MAPT
SCHEMBL2331407 0.78 NR4A2 (0.52) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL17489043 0.78 CYP1A2 (1.00) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL14286180 0.78 CYP1A2 (1.00) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL478673 0.78 TSHR (0.48) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL13398132 0.78 CYP1A2 (0.42) HSD17B10CYP1A2CYP2D6SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344042-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2019-07-09 US disclosed
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
US-9815855-B2 Method for producing 4-borono-L-phenylalanine having 18F atom introduced thereinto, and precursor of 4-borono-L-phenylalanine having 18F atom introduced thereinto STELLA PHARMA CORPORATION (JP) 2017-11-14 US disclosed
US-20170283441-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2017-10-05 US disclosed
US-20170015684-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO STELLA PHARMA CORPORATION (JP) 2017-01-19 US disclosed
EP-3112340-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO Stella Pharma Corporation (JP) 2017-01-04 EP disclosed
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2016-10-27 US disclosed
EP-3085687-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE Stella Pharma Corporation (JP) 2016-10-26 EP disclosed
US-9409926-B2 Chiral 4-boronophenylalanine (BPA) derivative and method for producing same, and method for producing 18F-labeled BPA using said derivative STELLA PHARMA CORPORATION; OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2016-08-09 US disclosed
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2015-11-19 US disclosed
EP-2907818-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE Stella Pharma Corporation (JP) 2015-08-19 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 (6 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-20170015684-A1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO KISS1R, TH, DAO HSD17B10 2954/4885CYP1A2 1418/4885CYP2D6 531/4885
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPR1, NPFFR2, NPFFR1 HSD17B10 419/4885CYP1A2 442/4885CYP2D6 467/4885
US-20170283441-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE NPFFR2, NPR1, NPFFR1 HSD17B10 758/4885CYP1A2 809/4885CYP2D6 908/4885
US-10344042-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPFFR2, NPR1, NPFFR1 HSD17B10 758/4885CYP1A2 809/4885CYP2D6 908/4885
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE NPR1, NPFFR2, NPFFR1 HSD17B10 419/4885CYP1A2 442/4885CYP2D6 467/4885
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE FFAR3, BRS3, FSHR HSD17B10 411/4885CYP1A2 362/4885CYP2D6 577/4885

“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.