SCHEMBL5114948

SCHEMBL5114948

COC(=O)[C@H](Cc1cc(Cl)c(OCCc2cccc(Oc3ccc(OC)cc3)c2)c(Cl)c1)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HTRA1 Q92743 4/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SLC2A1 P11166 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
YAP1 P46937 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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 0.94 ACACB (0.40) POLBHTRA1ACACBACACAMEN1
SCHEMBL5117059 0.86 NLRP3 (0.43) MEN1KMT2AALDH1A1LMNAYAP1
SCHEMBL5114418 0.80 THRB (0.41) POLBMEN1KMT2ATHRATHRB
SCHEMBL5114514 0.79 MME (0.45) POLBHTRA1ALDH1A1GAARAB9A
SCHEMBL5110447 0.79 MME (0.45) POLBHTRA1ALDH1A1GAARAB9A
Hydrochloric Acid SCHEMBL5117084 0.77 PRSS1 (0.41) MEN1KMT2AALDH1A1LMNAPRSS1
SCHEMBL5111209 0.74 TSHR (0.46) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL5109470 0.74 PPARA (0.43) YAP1RAB9A
SCHEMBL5113495 0.72 ESRRA (0.42) POLBALDH1A1
SCHEMBL5110429 0.72 TDP1 (0.41) POLBMEN1KMT2ACA1CA2

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 POLB 1752/4885HTRA1 4791/4885ACACB 1013/4885

“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.