SCHEMBL9977203

SCHEMBL9977203

CC(C)(C)OC(=O)N[C@H]1CCCN(CCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
ACE P12821 7/20 0.47
SIGMAR1 Q99720 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SCN9A Q15858 1/20 0.46
CASP3 P42574 1/20 0.45
HPGD P15428 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL12527914 0.86 KMT2A (0.55) SRCKMT2AL3MBTL1F2F10
SCHEMBL12527916 0.85 KMT2A (0.54) SRCKMT2AL3MBTL1F2F10
SCHEMBL202943 0.83 CASP3 (0.55) KMT2AL3MBTL1F2F10PRSS1
SCHEMBL202944 0.83 CASP3 (0.55) KMT2AL3MBTL1F2F10PRSS1
SCHEMBL2707948 0.83 CASP3 (0.55) KMT2AL3MBTL1F2F10PRSS1
SCHEMBL15130652 0.83 F2 (0.54) KMT2AL3MBTL1F2F10PRSS1
SCHEMBL6818563 0.82 KMT2A (0.56) SRCKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL7927436 0.82 KMT2A (0.56) SRCKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL7936884 0.82 KMT2A (0.56) SRCKMT2AL3MBTL1HDAC1HDAC8
SCHEMBL19027637 0.81 KMT2A (0.50) KMT2AL3MBTL1F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRC 4409/4885KMT2A 3803/4885L3MBTL1 2200/4885

“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.