SCHEMBL4133044

SCHEMBL4133044

CC(C)n1ncc2cc(C(=O)O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.56
HPGD P15428 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
EZH2 Q15910 1/20 0.51
ACLY P53396 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
PTGER3 P43115 1/20 0.41
KMO O15229 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CACNA1H O95180 1/20 0.40
GCGR P47871 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
SCHEMBL16595910 0.88 EZH2 (0.49) HCAR3HPGDHCAR2EZH2ACLY
SCHEMBL7470196 0.88 HCAR3 (0.52) HCAR3HPGDHCAR2EZH2KDM4E
SCHEMBL4128681 0.86 EZH2 (0.50) HCAR3HPGDHCAR2EZH2ACLY
SCHEMBL30147480 0.84 HCAR3 (0.42) HCAR3HPGDHCAR2EZH2HDAC8
SCHEMBL29301511 0.84 HCAR3 (0.42) HCAR3HPGDHCAR2EZH2HDAC8
SCHEMBL6840439 0.84 GCGR (0.48) HCAR3HPGDHCAR2KDM4ESMN1; SMN2
SCHEMBL15657915 0.84 EZH2 (0.51) HPGDEZH2ACLYKDM4ESMN1; SMN2
SCHEMBL16595863 0.80 GCGR (0.48) EZH2HDAC8GCGR
SCHEMBL4123693 0.80 EZH2 (0.51) HPGDEZH2KDM4ESMN1; SMN2HSD17B10
SCHEMBL25412318 0.79 KDM4E (0.49) HCAR3HPGDKDM4ESMN1; SMN2HSD17B10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
CN-105051037-B Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG化学株式会社 2018-05-18 CN disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (8 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 HCAR3 2260/4885HPGD 824/4885HCAR2 1547/4885
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 HCAR3 217/4885HPGD 2862/4885HCAR2 105/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HCAR3 119/4885HPGD 120/4885HCAR2 34/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 HCAR3 119/4885HPGD 120/4885HCAR2 34/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HCAR3 291/4885HPGD 3374/4885HCAR2 286/4885
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HCAR3 2260/4885HPGD 824/4885HCAR2 1547/4885

“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.