SCHEMBL14328002

SCHEMBL14328002

CCc1ccc(OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
RXRG P48443 2/20 0.57
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
S1PR1 P21453 12/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR3 Q99500 2/20 0.42
P2RX3 P56373 1/20 0.42
CSNK2A1 P68400 2/20 0.41
S1PR4 O95977 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL23032636 0.87 RXRA (0.44) RXRARXRBRXRGCTSSCTSK
SCHEMBL2415055 0.85 RXRA (0.59) RXRARXRBRXRGCTSSCTSK
SCHEMBL30488261 0.85 RXRA (0.59) RXRARXRBRXRGCTSSCTSK
SCHEMBL932902 0.85 RXRA (0.56) RXRARXRBRXRGCTSSCTSK
SCHEMBL247961 0.85 CSNK2A1 (0.59) RXRARXRBRXRGCTSSCTSK
SCHEMBL2019451 0.85 RXRA (0.59) RXRARXRBRXRGCTSSCTSK
SCHEMBL26179843 0.84 RXRA (0.54) RXRARXRBRXRGCTSSCTSK
SCHEMBL12013165 0.81 S1PR1 (0.46) RXRARXRBRXRGCTSSCTSK
SCHEMBL17014923 0.79 RXRA (0.57) RXRARXRBRXRGCTSSCTSK
SCHEMBL16606256 0.78 CSNK2A1 (0.49) CSNK2A1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US 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

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.