SCHEMBL2806526

SCHEMBL2806526

CCOC(=O)c1cc(OC(C)=O)c2c(F)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2184088 0.86 CYP3A4 (0.47) PTPN11KDM4EHSD17B10NPC1RAB9A
SCHEMBL29979507 0.82 PTPN11 (0.57) PTPN11KDM4EHSD17B10MAOAMAOB
SCHEMBL2805200 0.82 PTPN11 (0.57) PTPN11KDM4EHSD17B10MAOAMAOB
SCHEMBL13131927 0.81 PTPN11 (0.44) PTPN11KDM4EHSD17B10MAOAMAOB
SCHEMBL26412235 0.81 HTT (0.45) KDM4EHSD17B10NPC1RAB9ACA12
SCHEMBL28680144 0.79 ALOX15 (0.41) PTPN11KDM4EHSD17B10NPC1RAB9A
SCHEMBL3328123 0.79 HTT (0.48) KDM4EHSD17B10NPC1RAB9ACA12
SCHEMBL26412165 0.77 PTPN11 (0.40) PTPN11KDM4EHSD17B10CA12CA1
SCHEMBL2807973 0.76 TSHR (0.45) PTPN11KDM4EHSD17B10NPC1RAB9A
SCHEMBL8996322 0.74 HSD17B2 (0.41) PTPN11KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 PTPN11 3789/4885KDM4E 689/4885HSD17B10 1119/4885

“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.