SCHEMBL5113495

SCHEMBL5113495

COC(=O)[C@H](Cc1cc(Cl)c(Oc2cccc3ccccc23)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.42
NOS2 P35228 4/20 0.40
ATM Q13315 1/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
HPGD P15428 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
POLB P06746 1/20 0.38
PYGL P06737 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ELANE P08246 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL5114418 0.79 THRB (0.41) NOS2NOS3NOS1POLB
SCHEMBL5125017 0.77 NOS2 (0.42) NOS2ATMTACR1NOS3NOS1
SCHEMBL5117059 0.74 NLRP3 (0.43) NOS2NOS3NOS1ALDH1A1MDM4
SCHEMBL5118956 0.74 SLC7A5 (0.41) NOS2ATMNOS3NOS1POLB
SCHEMBL5693509 0.74 ATM (0.62) NOS2ATMNOS3NOS1POLB
SCHEMBL13900785 0.74 ATM (0.62) NOS2ATMNOS3NOS1POLB
Hydrochloric Acid SCHEMBL5117084 0.74 PRSS1 (0.41) NOS2NOS3NOS1ALDH1A1
SCHEMBL5111209 0.74 TSHR (0.46) NOS2ATMHPGDNOS3NOS1
SCHEMBL5123793 0.73 SLC7A5 (0.54) TACR3ELANETP53MAPT
SCHEMBL5125875 0.73 ESRRA (0.47) ESRRA

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 ESRRA 2458/4885NOS2 326/4885ATM 1889/4885

“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.