Sugi Predict

Sugi Predict / Compounds / SCHEMBL20169037

SCHEMBL20169037

SCHEMBL20169037

CC(=O)OCC1O[C@@H](Sc2ccccc2)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.72
▸ CA1 P00915 8/20 0.72
▸ CA2 P00918 8/20 0.72
▸ CA4 P22748 4/20 0.72
▸ CA5A P35218 4/20 0.72
▸ CA7 P43166 4/20 0.72
▸ CA5B Q9Y2D0 4/20 0.72
▸ TSHR P16473 1/20 0.65
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ LMNA P02545 3/20 0.61
▸ MAPT P10636 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PARP1 P09874 1/20 0.55
▸ PKM P14618 1/20 0.53
▸ CA9 Q16790 4/20 0.53
▸ P4HB P07237 1/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL1170779 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL4365300 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL15653572 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL17993793 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL17159594 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL23642758 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL14478515 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL1029421 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL22927973 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL15422483 1.00 CA12 (0.72) CA12CA1CA2CA4CA5A

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
US-20240209029-A1 ADIPONECTIN GLYCOPEPTIDES AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2024-06-27 — — US disclosed
US-10479681-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-11-19 — — US disclosed
US-20190152779-A1 FLUORINATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2019-05-23 — — US disclosed
US-10233080-B2 Fluorinating agent DAIKIN INDUSTRIES, LTD. (JP) 2019-03-19 — — US disclosed
US-9975911-B2 Antibacterial compounds and biological applications thereof MUTABILIS (FR) 2018-05-22 — — 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 (4 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-10479681-B2 Fluorinating agent AFF2, AFF4, AFF1 CA12 59/4885CA1 65/4885CA2 234/4885
US-10233080-B2 Fluorinating agent AFF2, AFF4, AFF1 CA12 59/4885CA1 65/4885CA2 234/4885
US-20240209029-A1 ADIPONECTIN GLYCOPEPTIDES AND COMPOSITIONS AND METHODS OF USE THEREOF ADIPOR1, ADIPOR2, PTMS CA12 2525/4885CA1 3604/4885CA2 4599/4885
US-20190152779-A1 FLUORINATING AGENT AFF2, AFF4, AFF1 CA12 59/4885CA1 65/4885CA2 234/4885

“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.