SCHEMBL522378

SCHEMBL522378

COC(=O)c1cc(F)c(CO)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SOS1 Q07889 1/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA1 P00915 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
KDM4E B2RXH2 8/20 0.36
GAA P10253 4/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL12338140 0.86 SLC6A4 (0.38) SLC6A4SLC6A3SOS1CA12CA2
SCHEMBL1994444 0.81 MAPT (0.43) SLC6A4SLC6A3SOS1CA12CA2
SCHEMBL543099 0.78 KEAP1 (0.40) KDM4E
SCHEMBL18149338 0.77 KDM4E (0.46) SOS1CA12CA2CA7CA9
SCHEMBL522850 0.77 MAPT (0.44) SLC6A4SLC6A3SOS1CA12CA2
SCHEMBL8979022 0.77 KDM4E (0.47) SLC6A4SLC6A3SOS1CA12CA2
SCHEMBL17926622 0.77 KDM4E (0.52) CA12CA2CA7CA9CA14
SCHEMBL16850333 0.76 TSHR (0.40) SOS1CA12CA2CA7CA9
SCHEMBL17700276 0.75 KDM4E (0.45) SLC6A4SLC6A3SOS1CA12CA2
SCHEMBL18149676 0.75 SOS1 (0.45) SLC6A4SLC6A3SOS1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 SLC6A4 683/4885SLC6A3 980/4885SOS1 4787/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 SLC6A4 1704/4885SLC6A3 2775/4885SOS1 3748/4885

“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.