SCHEMBL5114418

SCHEMBL5114418

COC(=O)[C@H](Cc1cc(Cl)c(Oc2ccc3cc(OC)ccc3c2)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
POLB P06746 1/20 0.40
NOS2 P35228 4/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
RORC P51449 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5114948 0.80 POLB (0.42) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5113495 0.79 ESRRA (0.42) POLBNOS2NOS3NOS1
SCHEMBL5125017 0.79 NOS2 (0.42) THRBNOS2NOS3NOS1
SCHEMBL7274368 0.77 THRB (0.42) THRBTHRARORCMEN1KMT2A
Hydrochloric Acid SCHEMBL5117084 0.76 PRSS1 (0.41) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL5109465 0.76 ACACB (0.40) THRBTHRAPOLBMEN1KMT2A
SCHEMBL31737126 0.76 THRB (0.54) THRBTHRAPOLBMEN1KMT2A
SCHEMBL31736748 0.74 PCNA (0.41) THRBTHRAPOLBMEN1KMT2A
SCHEMBL5117059 0.73 NLRP3 (0.43) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL5111209 0.72 TSHR (0.46) POLBNOS2NOS3NOS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 THRB 816/4885THRA 922/4885POLB 1752/4885

“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.