SCHEMBL15968100

SCHEMBL15968100

C[C@@H](COc1cc2oc(-c3ccc(OCc4ccccc4)c(F)c3)nc2cn1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.49
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
FFAR1 O14842 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPSE Q9Y251 2/20 0.38
CEPT1 Q9Y6K0 2/20 0.38
CTSA P10619 1/20 0.37
ERN1 O75460 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 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
SCHEMBL15969320 0.94 ACACB (0.56) ACACBS1PR1S1PR3S1PR5FFAR1
SCHEMBL15968145 0.88 MAPT (0.44) ACACBS1PR1S1PR3S1PR5FFAR1
SCHEMBL15968347 0.87 ACACB (0.47) ACACBMAPTLMNARXFP1TP53
SCHEMBL15968336 0.87 ACACB (0.53) ACACBS1PR5PPARDPPARAMAPT
SCHEMBL15968509 0.86 ACACB (0.44) ACACB
SCHEMBL15968187 0.85 S1PR1 (0.41) ACACBS1PR1S1PR3S1PR5FFAR1
SCHEMBL15968514 0.85 ACACB (0.56) ACACBMAPTLMNA
SCHEMBL15968167 0.84 ACACB (0.58) ACACB
SCHEMBL15968238 0.83 ACACB (0.56) ACACB
SCHEMBL15968574 0.82 NPC1 (0.46) ACACBMAPTTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ACACB 1112/4885S1PR1 2272/4885S1PR3 2502/4885

“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.