SCHEMBL20516489

SCHEMBL20516489

CC(=O)NC1C(OC(C)C(=O)O)[C@H](O)C(CO)O[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 1.00
▸ NOD2 Q9HC29 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ AR P10275 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CD69 Q07108 1/20 0.42

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
SCHEMBL57604 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL14520991 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL6552473 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL13575286 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL15504324 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL57603 1.00 MAPK1 (1.00) MAPK1NOD2ALDH1A1THRBESR1
N-Acetylglucosamine SCHEMBL28342076 0.97 MAPK1 (0.95) MAPK1NOD2ALDH1A1THRBESR1
Sulfuric Acid SCHEMBL3262877 0.95 MAPK1 (0.91) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL31124790 0.89 MAPK1 (0.80) MAPK1NOD2ALDH1A1THRBESR1
SCHEMBL23247948 0.89 MAPK1 (0.80) MAPK1NOD2ALDH1A1THRBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413299-B2 Compositions and methods for treatment of inflammatory disorders THE JOHNS HOPKINS UNIVERSITY (US) 2022-08-16 — — US disclosed
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-05-06 — — US disclosed
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders THE JOHN HOPKINS UNIVERSITY (US) 2020-06-02 — — US disclosed
WO-2019055597-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TSC National Tuberous Sclerosis Association, Inc. (US) 2019-03-21 — — WO disclosed
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS National Tuberous Sclerosis Association, Inc. 2019-03-14 — — US disclosed
US-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS THE JOHNS HOPKINS UNIVERSITY 2018-10-04 — — 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 (5 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-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 MAPK1 2051/4885NOD2 11/4885ALDH1A1 3398/4885
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 MAPK1 2051/4885NOD2 11/4885ALDH1A1 3398/4885
US-11413299-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 MAPK1 2051/4885NOD2 11/4885ALDH1A1 3398/4885
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 MAPK1 2051/4885NOD2 11/4885ALDH1A1 3398/4885
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS TLR4, TLR3, TLR2 MAPK1 1378/4885NOD2 9/4885ALDH1A1 4739/4885

“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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