SCHEMBL950346

SCHEMBL950346

CC(C)(C)c1ccc(CCOc2cccc(CCNCCC(=O)OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 6/20 0.42
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 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
SCHEMBL950790 0.94 KDM4E (0.45) KCNH2KMT2ACYP2D6KDM4EMITF
SCHEMBL948856 0.93 KMT2A (0.49) KCNH2KMT2AKDM4EMITFGAA
SCHEMBL947389 0.90 KCNH2 (0.47) KCNH2CYP2D6LTA4H
SCHEMBL948723 0.90 LMNA (0.50) KCNH2KMT2AKDM4EMITFGAA
SCHEMBL949797 0.90 GAA (0.49) KCNH2KMT2ACYP2D6GAALTA4H
SCHEMBL948002 0.87 KCNH2 (0.48) KCNH2CYP2D6KDM4E
SCHEMBL950234 0.87 KCNH2 (0.45) KCNH2CYP2D6GAALTA4H
Trifluoroacetic Acid SCHEMBL950345 0.87 FFAR1 (0.51) KCNH2KMT2ACYP2D6KDM4EMITF
SCHEMBL948576 0.86 KCNH2 (0.52) KCNH2KMT2ACYP2D6KDM4EGAA
SCHEMBL947834 0.86 FFAR1 (0.56) CYP2D6GAALTA4H

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-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
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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 1238/4885KMT2A 2683/4885CYP2D6 1819/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KCNH2 1903/4885KMT2A 2637/4885CYP2D6 594/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KCNH2 1903/4885KMT2A 2637/4885CYP2D6 594/4885

“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.