SCHEMBL15116751

SCHEMBL15116751

CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(I)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.52
▸ KMT2A Q03164 1/20 0.44
▸ SCN10A Q9Y5Y9 6/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL15116746 0.88 AAK1 (0.50) AAK1SCN10APRKCZLCKGABRA1
SCHEMBL20054435 0.88 AAK1 (0.50) AAK1SCN10APRKCZLCKGABRA1
SCHEMBL15116772 0.88 AAK1 (0.66) AAK1KMT2ASCN10ALCK
SCHEMBL20054518 0.88 AAK1 (0.66) AAK1KMT2ASCN10ALCK
SCHEMBL15116808 0.84 AAK1 (0.49) AAK1KMT2ASCN10ALCKABCB1
SCHEMBL20221198 0.84 AAK1 (0.49) AAK1KMT2ASCN10ALCKABCB1
SCHEMBL15116842 0.82 AAK1 (0.48) AAK1KMT2ASCN10ALCKABCB1
SCHEMBL15116786 0.81 AAK1 (0.46) AAK1SCN10APRKCZLCKGABRA1
SCHEMBL20054482 0.81 AAK1 (0.46) AAK1SCN10APRKCZLCKGABRA1
SCHEMBL26502047 0.81 AAK1 (0.46) AAK1KMT2ALCKABCB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 — — EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 — — WO disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — 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 (5 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-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885KMT2A 4038/4885SCN10A 4191/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885KMT2A 4038/4885SCN10A 4191/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885KMT2A 4038/4885SCN10A 4191/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 AAK1 2213/4885KMT2A 4038/4885SCN10A 4191/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS AAK1 2564/4885KMT2A 4192/4885SCN10A 4318/4885

“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.

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