SCHEMBL4676261

SCHEMBL4676261

CCC(C)(C)C(=O)C(=O)N1CCC[C@@]1(CCCc1cccc(C(F)(F)F)c1)C(O)=S

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 6/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL5275390 0.89 FKBP1A (0.39) FKBP1A
SCHEMBL4677132 0.87 FKBP1A (0.40) FKBP1A
SCHEMBL5280472 0.84 FKBP1A (0.51) FKBP1A
SCHEMBL4680570 0.82 FKBP1A (0.47) FKBP1A
SCHEMBL4676173 0.81 FKBP1A (0.41) FKBP1A
SCHEMBL5280412 0.80 RIPK1 (0.37) FKBP1A
SCHEMBL5283101 0.79 FKBP1A (0.36) FKBP1A
SCHEMBL4679856 0.78 FKBP1A (0.37) FKBP1A
SCHEMBL6429261 0.78 FKBP1A (0.37) FKBP1A
SCHEMBL5966030 0.77 FKBP1A (0.49) FKBP1A

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
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP disclosed
EP-1626043-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2006-02-15 EP disclosed
US-20050148637-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2005-07-07 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 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 (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-20050148637-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 MEN1 3240/4885KMT2A 1423/4885FKBP1A 955/4885

“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.