SCHEMBL402848

SCHEMBL402848

CCOC(=O)CCCn1ccc2c(C#N)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
TNF P01375 8/20 0.52
CNR1 P21554 2/20 0.51
CREBBP Q92793 1/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 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
SCHEMBL399775 0.93 MAPT (0.58) MAPTTNFCNR1CREBBPPOLB
SCHEMBL10113694 0.85 MAPT (0.71) MAPTPOLBSMN1; SMN2ALDH1A1TDP1
SCHEMBL418623 0.83 STAT3 (0.50) MAPTCREBBPPOLBSMN1; SMN2ALDH1A1
SCHEMBL27844923 0.80 MAPT (0.44) MAPTPOLBSMN1; SMN2ALDH1A1TDP1
SCHEMBL2125609 0.80 TNF (0.49) MAPTTNF
SCHEMBL1398456 0.80 MAPT (0.46) MAPTTNFCNR1CREBBPTDP1
SCHEMBL10113723 0.76 CNR1 (0.56) MAPTTNFCNR1CREBBPTUBB4A
SCHEMBL402819 0.76 CNR1 (0.59) TNFCNR1CREBBPALDH1A1TUBB4A
SCHEMBL8792687 0.76 TNF (0.70) TNFCNR1CREBBPLMNA
SCHEMBL28808827 0.75 POLB (0.70) MAPTPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012390-A Indole derivatives as S1P1 receptor GLAXO GROUP LTD 2013-04-03 CN 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
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US 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-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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 MAPT 2930/4885TNF 2734/4885CNR1 6/4885

“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.