SCHEMBL2415055

SCHEMBL2415055

CC(C)Oc1ccc(C[O])cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
RXRG P48443 2/20 0.59
P2RX3 P56373 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
S1PR1 P21453 14/20 0.41
S1PR5 Q9H228 4/20 0.41
S1PR3 Q99500 3/20 0.41
CSNK2A1 P68400 2/20 0.41
S1PR4 O95977 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
SCHEMBL14328002 0.85 RXRA (0.57) RXRARXRBRXRGP2RX3CTSS
SCHEMBL247961 0.84 CSNK2A1 (0.59) RXRARXRBRXRGP2RX3CTSS
SCHEMBL932902 0.84 RXRA (0.56) RXRARXRBRXRGP2RX3CTSS
SCHEMBL30488261 0.84 RXRA (0.59) RXRARXRBRXRGP2RX3CTSS
SCHEMBL2019451 0.84 RXRA (0.59) RXRARXRBRXRGP2RX3CTSS
SCHEMBL26179843 0.83 RXRA (0.54) RXRARXRBRXRGP2RX3CTSS
SCHEMBL12002404 0.76 RXRA (0.50) RXRARXRBRXRGP2RX3CTSS
SCHEMBL22621594 0.76 RXRA (0.50) RXRARXRBRXRGP2RX3CTSS
SCHEMBL1293281 0.75 RXRA (0.49) RXRARXRBRXRGP2RX3CTSS
SCHEMBL11338379 0.75 GAA (0.50) RXRARXRBRXRGP2RX3CTSS

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-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
EP-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO 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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 RXRA 1023/4885RXRB 1049/4885RXRG 1223/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 RXRA 1054/4885RXRB 1087/4885RXRG 1261/4885

“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.