SCHEMBL3143705

SCHEMBL3143705

CCC(NCc1ccc(O)c(F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43
SHBG P04278 1/20 0.40
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
MT-CO2 P00403 1/20 0.38
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
FOLH1 Q04609 1/20 0.38
CYP17A1 P05093 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CHRM4 P08173 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
SCHEMBL28337815 0.80 ALDH1A1 (0.50) POLBFOLH1MMEACECPA1
SCHEMBL28337813 0.80 ALDH1A1 (0.50) POLBFOLH1MMEACECPA1
SCHEMBL20336758 0.79 ACE (0.49) POLBFOLH1MMEACECPA1
SCHEMBL25185705 0.77 ALB (0.53) ALBIL2FOLH1MMEACE
SCHEMBL3143078 0.77 CYP1A2 (0.47) POLB
SCHEMBL30510402 0.77 ALB (0.53) ALBIL2FOLH1MMEACE
SCHEMBL3143472 0.77 SHBG (0.42) ALBIL2SHBGPOLBEGLN1
SCHEMBL20299964 0.77 ALB (0.53) ALBIL2FOLH1MMEACE
SCHEMBL7396775 0.75 POLB (0.62) POLBMMEACECPA1ACE2
SCHEMBL14793543 0.75 POLB (0.62) POLBMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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 (2 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALB 4218/4885IL2 2485/4885SHBG 4748/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALB 1258/4885IL2 2274/4885SHBG 579/4885

“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.