SCHEMBL948576

SCHEMBL948576

CC(C)(C)CCOc1cccc(CCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
CYP2D6 P10635 9/20 0.46
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 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
SCHEMBL948821 0.94 KCNH2 (0.48) KCNH2CYP2D6LTA4HKDM4EALDH1A1
SCHEMBL947967 0.89 CYP2D6 (0.58) KCNH2CYP2D6LTA4HKDM4EALDH1A1
SCHEMBL947190 0.89 GAA (0.50) KCNH2CYP2D6LTA4HMEN1KMT2A
SCHEMBL948323 0.88 CYP2D6 (0.59) KCNH2CYP2D6KDM4EALDH1A1GAA
SCHEMBL949797 0.88 GAA (0.49) KCNH2CYP2D6LTA4HMEN1KMT2A
SCHEMBL946342 0.87 LTA4H (0.46) KCNH2LTA4HMEN1KMT2AALDH1A1
SCHEMBL947012 0.87 CYP2D6 (0.59) KCNH2CYP2D6KDM4EALDH1A1GAA
SCHEMBL949916 0.87 CYP2D6 (0.59) KCNH2CYP2D6KDM4EALDH1A1GAA
SCHEMBL946346 0.87 CYP2D6 (0.59) KCNH2CYP2D6KDM4EALDH1A1GAA
SCHEMBL948824 0.87 CYP2D6 (0.59) KCNH2CYP2D6KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US 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 (3 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 KCNH2 1238/4885CYP2D6 1819/4885LTA4H 427/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KCNH2 1903/4885CYP2D6 594/4885LTA4H 697/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KCNH2 1903/4885CYP2D6 594/4885LTA4H 697/4885

“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.