SCHEMBL9952934

SCHEMBL9952934

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(C3CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 5/20 0.46
KCNH2 Q12809 2/20 0.45
ALOX5 P09917 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL18095501 0.91 CYP2C9 (0.44) CYP2C9CYP3A4CYP2C19MAPTTP53
SCHEMBL6119862 0.89 MAPT (0.43) CYP2C9CYP3A4CYP2C19MAPTTP53
SCHEMBL10204702 0.88 MAPT (0.49) MAPTTP53ALOX5THRBSMN1; SMN2
SCHEMBL15455978 0.88 MAPT (0.42) CYP2C9CYP3A4CYP2C19MAPTTP53
SCHEMBL2297091 0.87 PTGS2 (0.45) CYP2C9CYP3A4CYP2C19MAPTTP53
SCHEMBL2295568 0.87 CYP2C9 (0.48) CYP2C9CYP3A4CYP2C19KCNH2MEN1
SCHEMBL2298813 0.86 CYP2C9 (0.50) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL3543849 0.86 MEN1 (0.50) MAPTTP53ALOX5THRBSMN1; SMN2
SCHEMBL6119370 0.86 MAPT (0.41) CYP2C9CYP3A4CYP2C19MAPTTP53
SCHEMBL2298467 0.86 CYP2C9 (0.47) CYP2C9CYP3A4CYP2C19KCNH2KDM4E

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-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2C9 796/4885CYP3A4 822/4885CYP2C19 2280/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2C9 796/4885CYP3A4 822/4885CYP2C19 2280/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 CYP2C9 796/4885CYP3A4 822/4885CYP2C19 2280/4885

“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.