SCHEMBL17078002

SCHEMBL17078002

Cc1occc(=O)c1OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Fe]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
LDHA P00338 11/20 0.39
KDM4E B2RXH2 1/20 0.36
PDE4A P27815 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL10465852 0.99 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL25334262 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL14764002 0.75 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL1996277 0.73 PDE4A (0.48) SMN1; SMN2LMNAKMT2AMEN1MAPT
Gluconic Acid SCHEMBL17078003 0.72 LMNA (0.53) LMNAGAALDHAKDM4EPDE4A
SCHEMBL11020473 0.70 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL27844555 0.68 PDE4A (0.43) LMNAKMT2AMAPTGAAKDM4E
SCHEMBL27844553 0.68 PDE4A (0.43) LMNAKMT2AMAPTGAAKDM4E
SCHEMBL4107178 0.67 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL4107182 0.67 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AMEN1MAPT

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-3116548-B1 COMPOSITION SHIELD TX UK LTD (GB) 2021-02-17 EP disclosed
US-20170165274-A1 COMPOSITION SHIELD TX (UK) LTD. (GB) 2017-06-15 US disclosed
EP-3116548-A1 COMPOSITION Shield TX (UK) Limited (GB) 2017-01-18 EP disclosed
WO-2015136282-A1 COMPOSITION IRON THERAPEUTICS HOLDINGS AG (CH) 2015-09-17 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-20170165274-A1 COMPOSITION TAS2R5, TAS2R20, TAS2R4 SMN1; SMN2 1516/4885LMNA 3748/4885KMT2A 742/4885

“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.