SCHEMBL949822

SCHEMBL949822

O=C(CCNCc1cccc(OCc2ccc(Cl)cc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
BCHE P06276 7/20 0.48
NR4A2 P43354 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.45
SMPD1 P17405 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL946914 0.92 BCHE (0.57) SMN1; SMN2BCHEKDM4ESPHK2SPHK1
SCHEMBL946935 0.91 CYP2D6 (0.47) SMN1; SMN2MEN1MAPK1HTTKMT2A
SCHEMBL947908 0.89 BCHE (0.46) SMN1; SMN2MEN1MAPK1HTTKMT2A
SCHEMBL949364 0.88 LMNA (0.54) SMN1; SMN2MEN1KMT2ABCHENR4A2
SCHEMBL947796 0.86 BCHE (0.50) BCHESPHK2SPHK1
SCHEMBL946988 0.85 FFAR1 (0.56) SMN1; SMN2BCHEKDM4E
Trifluoroacetic Acid SCHEMBL949821 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MEN1MAPK1HTTKMT2A
SCHEMBL948969 0.83 BCHE (0.55) MEN1KMT2ABCHE
SCHEMBL15890757 0.82 MEN1 (0.60) SMN1; SMN2MEN1MAPK1HTTKMT2A
SCHEMBL949974 0.82 CYP2D6 (0.55) BCHENR4A2SMPD1

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-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 (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-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 SMN1; SMN2 3472/4885MEN1 435/4885MAPK1 1787/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 SMN1; SMN2 3472/4885MEN1 435/4885MAPK1 1787/4885

“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.