SCHEMBL2139064

SCHEMBL2139064

CCOC(=O)C(C)(C(=O)OCC)c1ccc(NN)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KCNQ3 O43525 3/20 0.37
KCNQ2 O43526 3/20 0.37
KCNQ4 P56696 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL140210 0.82 TSHR (0.36) KDM4ELMNAMAPK1MAPTKCNQ3
SCHEMBL30853648 0.82 TSHR (0.36) KDM4ELMNAMAPK1MAPTKCNQ3
SCHEMBL11156490 0.80 POLB (0.37) KDM4ELMNAMAPK1MAPTHTT
SCHEMBL23070510 0.79 MMP8 (0.37) KDM4ELMNAMAPK1HTTCYP1A2
SCHEMBL22964482 0.79 MAPT (0.39) KDM4ELMNAMAPK1MAPTCYP1A2
SCHEMBL11730443 0.76 ALDH1A1 (0.41) KDM4ELMNAMAPTHTTSMN1; SMN2
SCHEMBL142930 0.75 THRB (0.44) LMNAMAPTHTTCYP1A2CYP2C9
SCHEMBL2138531 0.75 APP (0.48) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25791893 0.74 CA1 (0.51) KDM4ELMNAMAPTCA1CA2
SCHEMBL11152796 0.74 NPSR1 (0.46) LMNAMAPTCYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR KDM4E 3428/4885LMNA 3829/4885MAPK1 3469/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR KDM4E 3428/4885LMNA 3829/4885MAPK1 3469/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR KDM4E 3428/4885LMNA 3829/4885MAPK1 3469/4885

“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.