SCHEMBL2947269

SCHEMBL2947269

CC(C)(C)OC(=O)CCNCc1ccc2sc(-c3ccc(Cl)c(C(F)(F)F)c3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.59
EIF2AK2 P19525 8/20 0.41
PDGFRB P09619 4/20 0.41
KDR P35968 4/20 0.41
KDM4E B2RXH2 2/20 0.38
NOTUM Q6P988 1/20 0.37
MCHR1 Q99705 1/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
STING1 Q86WV6 1/20 0.34

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
SCHEMBL2946636 0.87 S1PR1 (0.79) S1PR1HDAC1
SCHEMBL2948378 0.87 S1PR1 (0.76) S1PR1EIF2AK2PDGFRBKDRHDAC1
SCHEMBL2948958 0.81 KDM4E (0.46) S1PR1EIF2AK2KDM4ENOTUMMEN1
SCHEMBL2946511 0.78 S1PR1 (0.76) S1PR1HDAC1
SCHEMBL2946203 0.77 S1PR1 (0.72) S1PR1KDM4EHDAC1
SCHEMBL2947486 0.76 S1PR1 (0.77) S1PR1HDAC1
SCHEMBL2941597 0.75 S1PR1 (0.56) S1PR1
SCHEMBL2237377 0.74 S1PR1 (1.00) S1PR1HDAC1
SCHEMBL2950819 0.74 S1PR1 (0.70) S1PR1HDAC1
SCHEMBL2949725 0.73 S1PR1 (0.69) S1PR1HDAC1

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
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885EIF2AK2 422/4885PDGFRB 1382/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885EIF2AK2 422/4885PDGFRB 1382/4885

“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.