SCHEMBL3321609

SCHEMBL3321609

CC1(C)OB(c2cc(CO)cc([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
LIPG Q9Y5X9 7/20 0.37
LPL P06858 6/20 0.37
F11 P03951 1/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GPR35 Q9HC97 1/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1572672 0.84 CYP19A1 (0.45) TTRLIPGLPLLMNAHTT
SCHEMBL13568184 0.82 HSP90AB1 (0.41) LIPGLMNAHTTALDH1A1KMT2A
SCHEMBL3805692 0.80 KMT2A (0.41) TTRLIPGLPLF11LMNA
SCHEMBL31290955 0.80 KMT2A (0.41) TTRLIPGLPLF11LMNA
SCHEMBL30339941 0.78 TSHR (0.55) LIPGLPLLMNAHTTALDH1A1
SCHEMBL13336427 0.78 LMNA (0.48) LIPGLPLLMNAHTTALDH1A1
SCHEMBL3497830 0.77 ALDH1A1 (0.40) LIPGLPLLMNAHTTALDH1A1
SCHEMBL4161612 0.77 LPL (0.44) LIPGLPLLMNAHTTALDH1A1
SCHEMBL2496856 0.77 MAPT (0.41) LMNAHTTALDH1A1KMT2AMEN1
SCHEMBL2509251 0.77 LMNA (0.34) LIPGLPLLMNAALDH1A1

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
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 TTR 4753/4885LIPG 2618/4885LPL 4061/4885

“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.