SCHEMBL4663038

SCHEMBL4663038

FC(F)(F)c1cc(SCc2ccc(CBr)cc2)ccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
MAOA P21397 6/20 0.41
S1PR1 P21453 7/20 0.37
RORC P51449 1/20 0.36
S1PR3 Q99500 1/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL4662864 0.88 KIF11 (0.44) MAOBMAOAS1PR1RORC
SCHEMBL4664711 0.79 EGFR (0.47) S1PR1RORCLMNAMAPK1L3MBTL1
SCHEMBL4664486 0.77 S1PR5 (0.56) S1PR1S1PR3
SCHEMBL4664475 0.77 S1PR1 (0.59) S1PR1RORCS1PR3
SCHEMBL23148953 0.75 CNR2 (0.40)
SCHEMBL29616448 0.75 CNR2 (0.40)
SCHEMBL16493532 0.74 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL27350496 0.73 ALDH1A1 (0.58) MAOBMAOASLC6A4
SCHEMBL4664574 0.73 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL7703690 0.73 S1PR1 (0.44) S1PR1RORCS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
CN-1787817-B Immunosuppressant compounds and compositions IRM LLC 2011-09-07 CN disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
CN-1787817-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-14 CN disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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 (1 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-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 MAOB 3645/4885MAOA 3296/4885S1PR1 133/4885

“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.