SCHEMBL948038

SCHEMBL948038

CC(C)COc1ccc(CNCCC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
ACACB O00763 4/20 0.42
LTA4H P09960 1/20 0.40
HTR2A P28223 5/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ADRB2 P07550 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GPR183 P32249 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL948322 0.90 ACACB (0.49) KMT2AMEN1ACACBLTA4HADRB2
SCHEMBL951205 0.88 S1PR1 (0.46) ACACBLTA4HADRB2DRD3ADRB1
SCHEMBL948234 0.88 KDM4E (0.44) KMT2ALTA4HKDM4EMITFGAA
SCHEMBL951121 0.87 LTA4H (0.38) KMT2ALTA4HKDM4EMITFGAA
SCHEMBL946937 0.87 KDM4E (0.42) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL948586 0.85 S1PR2 (0.50) KMT2ALTA4HCYP1A2KDM4EMITF
Trifluoroacetic Acid SCHEMBL948036 0.83 KMT2A (0.47) KMT2AMEN1MAPTALOX12ACACB
SCHEMBL948193 0.83 S1PR2 (0.54) KMT2ALTA4HCYP1A2KDM4EMITF
SCHEMBL948875 0.83 KMT2A (0.46) KMT2ALTA4HKDM4EMITFGAA
SCHEMBL950312 0.82 DRD4 (0.52) KMT2ALTA4HADRA1ADRD3KDM4E

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 8 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
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 CN 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 KMT2A 2683/4885MEN1 458/4885MAPT 4760/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KMT2A 2637/4885MEN1 435/4885MAPT 4603/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KMT2A 2637/4885MEN1 435/4885MAPT 4603/4885

“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.