SCHEMBL946342

SCHEMBL946342

CC(C)(C)CCOc1ccc(CCNCCC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL946815 0.94 S1PR1 (0.51) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL948875 0.90 KMT2A (0.46) LTA4HKMT2AS1PR1S1PR3ALDH1A1
SCHEMBL947992 0.89 LTA4H (0.50) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL948576 0.87 KCNH2 (0.52) LTA4HKMT2AMEN1KCNH2ALDH1A1
SCHEMBL948723 0.87 LMNA (0.50) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL947349 0.87 KMT2A (0.48) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL946370 0.87 LTA4H (0.48) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL3540441 0.86 LTA4H (0.54) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL947374 0.86 S1PR1 (0.47) LTA4HKMT2AMEN1S1PR1S1PR3
SCHEMBL947490 0.86 S1PR1 (0.47) LTA4HKMT2AMEN1S1PR1S1PR3

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 5 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
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 (2 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 LTA4H 427/4885KMT2A 2683/4885MEN1 458/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LTA4H 697/4885KMT2A 2637/4885MEN1 435/4885

“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.