SCHEMBL3134906

SCHEMBL3134906

CCC(Nc1cc(F)c(O)cc1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SHBG P04278 1/20 0.34
FOLH1 Q04609 1/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PKLR P30613 1/20 0.32
CYP17A1 P05093 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
ALB P02768 1/20 0.32
IL2 P60568 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3143472 0.78 SHBG (0.42) EGLN1SMN1; SMN2ALDH1A1SHBGFOLH1
SCHEMBL25227848 0.73 PKM (0.38) EGLN1PKMSMN1; SMN2ALDH1A1POLB
SCHEMBL25271752 0.73 PKM (0.38) EGLN1PKMSMN1; SMN2ALDH1A1POLB
SCHEMBL2785439 0.72 EPHX2 (0.44) PKMALDH1A1POLB
SCHEMBL2340470 0.72 EPHX2 (0.44) PKMALDH1A1POLB
SCHEMBL2332078 0.72 EPHX2 (0.44) PKMALDH1A1POLB
SCHEMBL3143705 0.70 ALB (0.43) EGLN1SHBGFOLH1POLBCYP17A1
SCHEMBL3552952 0.70 CA1 (0.38) SMN1; SMN2ALDH1A1CA1CA2KMT2A
SCHEMBL12275158 0.69 HSD17B14 (0.39) EGLN1ALDH1A1POLBCA1CA2
SCHEMBL2283372 0.69 GAA (0.42) SMN1; SMN2ALDH1A1POLBCA1CA2

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
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

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 EGLN1 1539/4885PKM 4362/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 EGLN1 448/4885PKM 3868/4885SMN1; SMN2 3077/4885

“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.