SCHEMBL482910

SCHEMBL482910

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.38
ACVR1 Q04771 3/20 0.37
FYN P06241 1/20 0.37
TGFBR1 P36897 1/20 0.37
CYP17A1 P05093 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TP53 P04637 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 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
SCHEMBL897030 0.95 NPSR1 (0.48) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL897068 0.93 CRBN (0.49) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL896311 0.93 CRBN (0.46) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL896347 0.90 NPSR1 (0.48) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL483070 0.89 NPSR1 (0.45) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL896915 0.89 NPSR1 (0.45) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL897090 0.88 NPSR1 (0.45) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL896604 0.88 NPSR1 (0.46) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL482581 0.88 NPSR1 (0.46) CRBNNPSR1ATMMEN1KMT2A
SCHEMBL896547 0.87 NPSR1 (0.44) CRBNNPSR1ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885NPSR1 4135/4885ATM 4521/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885NPSR1 4135/4885ATM 4521/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885NPSR1 4135/4885ATM 4521/4885

“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.