SCHEMBL13533673

SCHEMBL13533673

CC(=O)NC1C(OC2C(O)C(C)OC(CO)C2O)OC(CS)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.55
▸ LGALS8 O00214 1/20 0.53
▸ LGALS3 P17931 1/20 0.53
▸ LGALS4 P56470 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ CHIA Q9BZP6 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL15848786 0.94 CD69 (0.60) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL4266219 0.91 CD69 (0.57) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL4266215 0.91 CD69 (0.57) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL4279261 0.89 CD69 (0.55) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL4279267 0.89 CD69 (0.55) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL13541613 0.88 CD69 (0.61) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL21211570 0.88 CD69 (0.61) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL13541638 0.88 CD69 (0.61) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL13663174 0.88 CD69 (0.61) CD69LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL16187917 0.86 CD69 (0.61) CD69LGALS8LGALS3LGALS4ALDH1A1

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
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 — — US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 — — US disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 — — US disclosed
US-20100022620-A1 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2010-01-28 — — 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 (3 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-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION UGCG, SMPD1, SMPD4 CD69 1955/4885LGALS8 1702/4885LGALS3 1250/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 CD69 3355/4885LGALS8 3800/4885LGALS3 3088/4885
US-20100022620-A1 EPITOPE REDUCTION THERAPY UGCG, GBA1, ENGASE CD69 19/4885LGALS8 407/4885LGALS3 304/4885

“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.

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