SCHEMBL20299968

SCHEMBL20299968

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

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AMDHD2 Q9Y303 1/20 0.68
FBP1 P09467 1/20 0.58
MAPK1 P28482 1/20 0.45
IGF2R P11717 4/20 0.44
LGALS3 P17931 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
P2RY2 P41231 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HK1 P19367 1/20 0.40
HK2 P52789 1/20 0.40

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
SCHEMBL29394667 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL20291477 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL4363197 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL29425232 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL4363206 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL25361382 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL14669223 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL20912983 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL20558753 1.00 AMDHD2 (0.68) AMDHD2FBP1MAPK1IGF2RLGALS3
SCHEMBL14414838 0.96 AMDHD2 (0.62) AMDHD2FBP1MAPK1IGF2RLGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 EP 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
WO-2018115476-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA ETABLISSEMENT FRANÇAIS DU SANG (FR) 2018-06-28 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 (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-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 AMDHD2 1655/4885FBP1 1833/4885MAPK1 2051/4885
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 AMDHD2 1655/4885FBP1 1833/4885MAPK1 2051/4885
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 AMDHD2 1655/4885FBP1 1833/4885MAPK1 2051/4885
US-20190077874-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TUBEROUS SCLEROSIS TLR4, TLR3, TLR2 AMDHD2 708/4885FBP1 846/4885MAPK1 1378/4885

“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.