SCHEMBL15516637

SCHEMBL15516637

CC(C)c1cc(C(=O)O)n(-c2cccc(CP(C)(C)=O)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
KLKB1 P03952 2/20 0.46
GSK3A P49840 5/20 0.45
SRC P12931 2/20 0.45
SYK P43405 2/20 0.45
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CARM1 Q86X55 5/20 0.40
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
KCNJ6 P48051 2/20 0.38
KCNJ5 P48544 2/20 0.38
KCNJ3 P48549 2/20 0.38
BRAF P15056 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL15516834 0.85 ALDH1A1 (0.45) ALDH1A1GAAGSK3ASRCSYK
SCHEMBL15516500 0.83 KLKB1 (0.46) ALDH1A1GAAKLKB1GSK3ASRC
SCHEMBL15517438 0.82 GRN (0.64) ALDH1A1KLKB1GSK3ASRCSYK
SCHEMBL4498910 0.79 ALDH1A1 (1.00) ALDH1A1GAAGRNSORT1MAPK14
SCHEMBL2927650 0.77 ALDH1A1 (0.74) ALDH1A1GAAKLKB1GRNSORT1
SCHEMBL2926051 0.74 ALDH1A1 (0.68) ALDH1A1GAAKLKB1GRNSORT1
SCHEMBL15518413 0.71 ALDH1A1 (0.50) ALDH1A1GAAKMT2APOLBTDP1
SCHEMBL15516625 0.71 GRN (0.62) ALDH1A1KLKB1GRNSORT1CARM1
SCHEMBL4422536 0.70 ALDH1A1 (0.75) ALDH1A1GAAGRNSORT1MAPK14
SCHEMBL15517487 0.70 ALDH1A1 (0.48) ALDH1A1GAAKMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033446-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 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 (2 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-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN ALDH1A1 2702/4885GAA 1725/4885KLKB1 2074/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 2639/4885GAA 1883/4885KLKB1 2137/4885

“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.