SCHEMBL400167

SCHEMBL400167

CCOC(=O)CCn1ccc2cc(C(=N)NO)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 7/20 0.47
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC6 Q9UBN7 6/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC3 O15379 5/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ CREBBP Q92793 1/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41

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
SCHEMBL10304651 0.86 PLAU (0.62) TNFPLGPLAUCREBBP
SCHEMBL14189657 0.81 TNF (0.48) TNFPLGPLAUCREBBPTUBB4A
SCHEMBL20553630 0.81 TNF (0.52) TNFCREBBPTUBB4ATUBBTUBA3C
SCHEMBL1398637 0.80 KMO (0.43) —
SCHEMBL10113676 0.80 TNF (0.47) TNFPLGPLAUHDAC8HDAC6
SCHEMBL4473320 0.79 TNF (0.53) TNFCREBBPTUBB4ATUBBTUBA3C
SCHEMBL402265 0.79 CREBBP (0.47) TNFHDAC8HDAC6HDAC1HDAC2
SCHEMBL20668088 0.76 TUBB1 (0.72) TNFHDAC8HDAC6HDAC3HDAC1
SCHEMBL1398562 0.76 KDM4E (0.41) TNF
SCHEMBL38651923 0.76 MTNR1A (0.44) TNFMTNR1AMTNR1B

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
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
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
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

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 TNF 2734/4885PLG 2702/4885PLAU 4000/4885

“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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