SCHEMBL13437007

SCHEMBL13437007

NCC1OC(CO)C(O)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.52
LGALS3 P17931 2/20 0.52
LGALS9 O00182 1/20 0.52
LGALS8 O00214 1/20 0.52
TSHR P16473 2/20 0.47
GJA1 P17302 1/20 0.47
GJB2 P29033 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6473412 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL22618254 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL13437028 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL278868 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL6477822 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL28371404 1.00 LGALS1 (0.52) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL12301700 0.97 LGALS1 (0.48) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL30228797 0.89 IDUA (0.40) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL13996793 0.87 LGALS3 (0.64) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL16789213 0.87 LGALS3 (0.64) LGALS1LGALS3LGALS9LGALS8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150182643-A1 Novel Substrate Based PET Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2015-07-02 US disclosed
US-9005577-B2 Substrate based PET imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2015-04-14 US disclosed
US-20100074843-A1 Novel Substrate Based PET Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 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-20100074843-A1 Novel Substrate Based PET Imaging Agents MPI, PIGO, SLC35B2 LGALS1 499/4885LGALS3 839/4885LGALS9 1246/4885
US-20150182643-A1 Novel Substrate Based PET Imaging Agents MPI, PIGO, SLC35B2 LGALS1 499/4885LGALS3 839/4885LGALS9 1246/4885

“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.