SCHEMBL1398476

SCHEMBL1398476

CCc1cc(C(=O)O)ccc1N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ POLB P06746 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ HPGD P15428 4/20 0.54
▸ TSHR P16473 2/20 0.54
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ HTR7 P34969 1/20 0.44
▸ ERAP1 Q9NZ08 2/20 0.44
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL23877801 0.86 GAA (0.66) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL27783744 0.84 GAA (0.53) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL581026 0.81 GAA (0.67) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL30683883 0.79 GAA (0.64) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL8806160 0.79 GAA (0.69) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL29113608 0.79 GAA (0.64) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL29805515 0.78 KDM4E (1.00) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL29805317 0.78 GAA (0.67) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL6125360 0.78 HPGD (0.68) GAAKDM4EPOLBHSD17B10TDP1
SCHEMBL15392283 0.78 GAA (0.62) GAAKDM4EPOLBHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012390-B As the indole derivatives of S1P1 receptor stimulant GLAXO GROUP LTD. (GB) 2015-08-26 — — CN disclosed
CN-101663297-B Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (s1p) agonists GLAXO GROUP LTD 2013-05-08 — — CN disclosed
CN-103012390-A Indole derivatives as S1P1 receptor GLAXO GROUP LTD 2013-04-03 — — CN disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 — — US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 — — US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 — — US disclosed
CN-101611033-B Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD 2012-10-31 — — CN disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 — — EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 — — US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 — — US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 — — US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 — — US disclosed
CN-101663297-A Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (s1p) agonists GLAXO GROUP LTD 2010-03-03 — — CN disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 — — EP disclosed
CN-101611033-A Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2009-12-23 — — CN disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 — — EP disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 — — WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 — — WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 — — WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 — — 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 (1 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-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 GAA 3538/4885KDM4E 3695/4885POLB 3807/4885

“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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