SCHEMBL1918337

SCHEMBL1918337

COC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(OC(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RCE1 Q9Y256 1/20 0.38
CYP19A1 P11511 1/20 0.38
ANO1 Q5XXA6 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
F2 P00734 1/20 0.35
F11 P03951 1/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ACLY P53396 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL9954399 0.95 ATM (0.36) ATML3MBTL1RCE1CYP19A1ANO1
SCHEMBL1919537 0.91 ANO1 (0.43) CYP19A1ANO1MEN1KMT2AKDM4E
SCHEMBL3533863 0.91 KDM4E (0.47) L3MBTL1RCE1MEN1KMT2AKDM4E
SCHEMBL1919350 0.90 KDM4E (0.39) CYP19A1ANO1KDM4EF2PTGS2
SCHEMBL29950180 0.90 CYP2C9 (0.43)
SCHEMBL2844773 0.90 CYP19A1 (0.37) CYP19A1ANO1PTGS2ALDH1A1
SCHEMBL2363613 0.90 CYP2C9 (0.43)
SCHEMBL1918630 0.88 CYP19A1 (0.37) CYP19A1ANO1F2PTGS2ACLY
SCHEMBL2835706 0.87 CYP3A4 (0.36) CYP19A1ANO1F2
SCHEMBL4792138 0.87 PTGS2 (0.49) L3MBTL1RCE1MEN1KMT2AKDM4E

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 23 patents — showing the first 20. 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-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 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
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO 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
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 EP 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
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 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 (7 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 ATM 3705/4885L3MBTL1 3392/4885RCE1 1220/4885
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ATM 4535/4885L3MBTL1 3299/4885RCE1 960/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ATM 4535/4885L3MBTL1 3299/4885RCE1 960/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ATM 3705/4885L3MBTL1 3392/4885RCE1 1220/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ATM 3705/4885L3MBTL1 3392/4885RCE1 1220/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 ATM 4535/4885L3MBTL1 3299/4885RCE1 960/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ATM 3705/4885L3MBTL1 3392/4885RCE1 1220/4885

“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.