SCHEMBL10280759

SCHEMBL10280759

CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)c(N=O)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
PTGS2 P35354 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX5 P09917 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1919602 0.84 ALDH1A1 (0.41) MEN1KMT2AGAAPTGS2PLA2G1B
SCHEMBL13457553 0.79 MEN1 (0.48) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL1919590 0.77 MEN1 (0.44) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL2299438 0.74 PTGS2 (0.49) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL1918302 0.73 KCNH2 (0.44)
SCHEMBL253511 0.72 GAA (0.53) MEN1KMT2AGAAPTGS2PLA2G1B
SCHEMBL4790731 0.71 MAPT (0.41) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL6119754 0.71 MEN1 (0.44) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL4792280 0.70 KDM4E (0.40) MEN1KMT2AGAAPTGS2MAPT
SCHEMBL9947767 0.69 KCNH2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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 (5 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885GAA 162/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885GAA 162/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885GAA 162/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885GAA 162/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885GAA 162/4885

“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.