SCHEMBL4662864

SCHEMBL4662864

OCc1ccc(CSc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
S1PR1 P21453 7/20 0.39
RORC P51449 1/20 0.39
PDK2 Q15119 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MGAM O43451 1/20 0.35
GBA1 P04062 1/20 0.35
LCT P09848 1/20 0.35
SI P14410 1/20 0.35
UGCG Q16739 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4663038 0.88 MAOB (0.41) MAOAMAOBS1PR1RORC
SCHEMBL4664711 0.82 EGFR (0.47) S1PR1RORCNR1H2MEN1KMT2A
SCHEMBL3898700 0.81 PDK2 (0.47) KIF11S1PR1RORCPDK2NR1H2
SCHEMBL4664475 0.81 S1PR1 (0.59) S1PR1RORC
SCHEMBL4664486 0.81 S1PR5 (0.56) S1PR1
SCHEMBL16493532 0.78 S1PR1 (0.45) S1PR1
SCHEMBL4664574 0.76 S1PR1 (0.47) S1PR1
SCHEMBL4666385 0.75 S1PR1 (0.51) S1PR1RORC
SCHEMBL4662867 0.75 S1PR5 (0.55) S1PR1
SCHEMBL2324650 0.75 KIF11 (0.51) KIF11S1PR1PDK2NR1H2NR1H3

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-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP 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 KIF11 4248/4885MAOA 3296/4885MAOB 3645/4885

“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.