SCHEMBL948875

SCHEMBL948875

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 4/20 0.45
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD4 P21917 2/20 0.40
ALDH1A1 P00352 2/20 0.39
S1PR2 O95136 2/20 0.38
S1PR1 P21453 2/20 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
SCHEMBL946342 0.90 LTA4H (0.46) KMT2AGAALTA4HALDH1A1S1PR1
SCHEMBL948586 0.88 S1PR2 (0.50) KMT2AKDM4EMITFGAALTA4H
SCHEMBL946815 0.88 S1PR1 (0.51) KMT2AKDM4EMITFGAALTA4H
SCHEMBL948193 0.86 S1PR2 (0.54) KMT2AKDM4EMITFGAALTA4H
SCHEMBL950312 0.86 DRD4 (0.52) KMT2AKDM4EMITFGAALTA4H
SCHEMBL948073 0.85 S1PR1 (0.56) KDM4EMITFGAALTA4HS1PR2
SCHEMBL946576 0.85 S1PR1 (0.56) KDM4EMITFGAALTA4HS1PR2
SCHEMBL947986 0.85 S1PR1 (0.56) KDM4EMITFGAALTA4HS1PR2
SCHEMBL949938 0.85 KDM4E (0.52) KMT2AKDM4EMITFGAALTA4H
SCHEMBL948234 0.84 KDM4E (0.44) KMT2AKDM4EMITFGAALTA4H

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 KMT2A 2683/4885KDM4E 2041/4885MITF 3598/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KMT2A 2637/4885KDM4E 1286/4885MITF 3823/4885

“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.