SCHEMBL9977223

SCHEMBL9977223

CC(C)[C@H](NC(=O)CCCC(=O)NCC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 2/20 0.56
SDC2 P34741 2/20 0.56
FPR2 P25090 2/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MMP2 P08253 3/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL9977222 0.88 HDAC1 (0.44) SDCBPSDC2HDAC1HDAC8MEN1
SCHEMBL203074 0.86 SDCBP (0.51) SDCBPSDC2FPR2MEN1KMT2A
SCHEMBL2708907 0.86 SDCBP (0.51) SDCBPSDC2FPR2MEN1KMT2A
SCHEMBL11068391 0.84 SDCBP (0.64) SDCBPSDC2FPR2HDAC1HDAC8
SCHEMBL9977220 0.80 HDAC1 (0.54) HDAC1HDAC8MEN1KMT2APARP1
SCHEMBL14982196 0.77 KMT2A (0.52) FPR2HDAC1HDAC8MEN1KMT2A
SCHEMBL19339602 0.77 SDCBP (0.42) SDCBPSDC2FPR2HDAC1MEN1
SCHEMBL15993451 0.77 SDCBP (0.42) SDCBPSDC2FPR2MEN1KMT2A
SCHEMBL2706227 0.77 SDCBP (0.42) SDCBPSDC2FPR2HDAC1MEN1
SCHEMBL202941 0.77 SDCBP (0.42) SDCBPSDC2FPR2HDAC1MEN1

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 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SDCBP 4106/4885SDC2 4625/4885FPR2 4293/4885

“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.