SCHEMBL5117059

SCHEMBL5117059

COC(=O)[C@H](Cc1cc(Cl)c(OCCc2cccc(O)c2)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
F2 P00734 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
NOS2 P35228 5/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
YAP1 P46937 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 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
SCHEMBL5109465 0.89 ACACB (0.40) NPC1RAB9AMDM4MDM2YAP1
SCHEMBL5114948 0.86 POLB (0.42) RAB9AYAP1MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5117084 0.81 PRSS1 (0.41) NPC1RAB9ANOS2NOS3NOS1
SCHEMBL5111209 0.79 TSHR (0.46) RAB9ANOS2NOS3NOS1MEN1
SCHEMBL5125017 0.78 NOS2 (0.42) MDM4MDM2NOS2NOS3NOS1
SCHEMBL5109470 0.77 PPARA (0.43) NPC1RAB9AYAP1
SCHEMBL5110429 0.76 TDP1 (0.41) MEN1KMT2A
SCHEMBL5118162 0.75 NLRP3 (0.47) NLRP3CHRNA1CHRNGCHRNB1CHRND
SCHEMBL5113495 0.74 ESRRA (0.42) MDM4MDM2NOS2NOS3NOS1
SCHEMBL5118956 0.73 SLC7A5 (0.41) NPC1RAB9AMDM4MDM2NOS2

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 NLRP3 4233/4885F2 4247/4885NPC1 602/4885

“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.