SCHEMBL949364

SCHEMBL949364

O=C(CCNCc1ccc(OCc2ccc(Cl)cc2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
BCHE P06276 2/20 0.52
NR4A2 P43354 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL947311 0.90 BCHE (0.51) LMNANPC1RAB9ABCHENR4A2
SCHEMBL948969 0.90 BCHE (0.55) BCHEMEN1KMT2A
SCHEMBL949822 0.88 SMN1; SMN2 (0.52) BCHENR4A2MAOAMAOBMEN1
SCHEMBL947964 0.88 S1PR1 (0.46) LMNANPC1RAB9ABCHENR4A2
SCHEMBL948410 0.84 BCHE (0.55) BCHEMEN1KMT2A
Trifluoroacetic Acid SCHEMBL949362 0.84 BCHE (0.57) LMNANPC1RAB9ABCHENR4A2
SCHEMBL948586 0.81 S1PR2 (0.50) LMNAKMT2ASMN1; SMN2
SCHEMBL950312 0.81 DRD4 (0.52) LMNAKMT2A
SCHEMBL946935 0.81 CYP2D6 (0.47) BCHENR4A2MAOAMAOBMEN1
SCHEMBL947225 0.81 KDM4E (0.50) LMNABCHEKMT2A

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 LMNA 2786/4885NPC1 263/4885RAB9A 1947/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 LMNA 3761/4885NPC1 601/4885RAB9A 3128/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 LMNA 3761/4885NPC1 601/4885RAB9A 3128/4885

“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.