SCHEMBL2672247

SCHEMBL2672247

C[C@@H](OC[C@H]1CO1)c1ccc(F)cc1C=CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
MGLL Q99685 1/20 0.38
GLA P06280 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MIF P14174 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2672246 1.00 TDO2 (0.39) TDO2KDM4EHTTMGLLGLA
SCHEMBL2672245 1.00 TDO2 (0.39) TDO2KDM4EHTTMGLLGLA
SCHEMBL2672917 0.93 TDO2 (0.38) TDO2KDM4EHTTMGLLGLA
SCHEMBL2672918 0.93 TDO2 (0.38) TDO2KDM4EHTTMGLLGLA
SCHEMBL2672912 0.93 TDO2 (0.38) TDO2KDM4EHTTMGLLGLA
SCHEMBL2673481 0.88 CYP3A4 (0.39) KDM4EMGLLGLASLC6A2SLC6A4
SCHEMBL2673478 0.88 CYP3A4 (0.39) KDM4EMGLLGLASLC6A2SLC6A4
SCHEMBL2673483 0.88 CYP3A4 (0.39) KDM4EMGLLGLASLC6A2SLC6A4
SCHEMBL10151059 0.88 MGLL (0.41) TDO2MGLLCA12CA1CA2
SCHEMBL2477015 0.88 MGLL (0.41) TDO2MGLLCA12CA1CA2

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
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 TDO2 2786/4885KDM4E 3243/4885HTT 3708/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TDO2 2454/4885KDM4E 4236/4885HTT 3984/4885

“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.