SCHEMBL433380

SCHEMBL433380

C=CCCCOC(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 8/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CTSS P25774 1/20 0.36
TLR2 O60603 1/20 0.35

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
SCHEMBL16130357 1.00 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL16130376 0.96 CA1 (0.40) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL16130384 0.91 CA1 (0.43) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL16130371 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL16130364 0.84 CTSL (0.48) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL14887467 0.82 CTSK (0.50) CA1CA2CA7CTSKMAPT
SCHEMBL22068056 0.82 SMN1; SMN2 (0.51) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL2396943 0.82 CTSK (0.50) CA1CA2CA7CTSKMAPT
SCHEMBL18823167 0.81 CA1 (0.44) CA1CA2CA7CTSKCYP2D6
SCHEMBL21074174 0.81 TDP1 (0.49) CA1CA2CA7CTSKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595994-B1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2016-04-20 EP disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
EP-2595994-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES Glaxo Group Limited (GB) 2013-05-29 EP disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 US disclosed
WO-2012012391-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2012-01-26 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-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES DHPS, AKR1C3, Q6ZSR9 SMN1; SMN2 4213/4885CA1 1817/4885CA2 2130/4885

“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.