SCHEMBL2722103

SCHEMBL2722103

COC(=O)c1cc(O)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
TPMT P51580 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.45
SIRT6 Q8N6T7 1/20 0.45
TSHR P16473 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
AKR1C3 P42330 2/20 0.41

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
SCHEMBL2722464 0.92 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28708249 0.85 POLB (0.46) TPMTTDP1TSHRMEN1KMT2A
SCHEMBL2722414 0.85 DTYMK (0.51) TPMTTDP1GAATSHRCA1
SCHEMBL9490047 0.83 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18863803 0.82 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2609104 0.81 TDP1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11922558 0.81 TDP1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1013315 0.81 POLB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11922589 0.81 TDP1 (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30912978 0.81 CA12 (0.57) TDP1GAATSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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 (1 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 PDGFRB 2993/4885FGFR1 1455/4885PDGFRA 2923/4885

“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.