SCHEMBL9112164

SCHEMBL9112164

Cc1cccc(C(C#Cc2ccc(CO)cc2Br)Cc2ccc(C)c(C)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL15695428 0.84 S1PR1 (0.32) S1PR1
SCHEMBL9114134 0.82 CETP (0.33)
SCHEMBL9112786 0.81 MAPT (0.33)
SCHEMBL9909370 0.77 S1PR1 (0.36) CTSBS1PR1
SCHEMBL9110842 0.72 ESR1 (0.41) CTSB
SCHEMBL9112296 0.72 S1PR1 (0.49) S1PR1
SCHEMBL9113740 0.72 S1PR1 (0.49) S1PR1
SCHEMBL15939013 0.71 S1PR1 (0.36) CTSBS1PR1
SCHEMBL9110700 0.70 MAPT (0.32)
SCHEMBL15695420 0.69 CETP (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646405-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8541397-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-8541397-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-8541397-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-09-24 US disclosed
US-20130150331-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-20130150331-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-20130150331-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-8404663-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-03-26 US disclosed
US-8404663-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-03-26 US disclosed
US-8404663-B2 Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators ALLERGAN, INC. (US) 2013-03-26 US disclosed
US-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074921-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20130150331-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 CTSB 2311/4885S1PR1 1/4885
US-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 CTSB 2311/4885S1PR1 1/4885

“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.