SCHEMBL9977210

SCHEMBL9977210

CCOC(=O)[C@H](C)NCCC[C@H](Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
METAP2 P50579 1/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19339724 0.84 TPSAB1 (0.44) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL2707949 0.84 TPSAB1 (0.44) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL4759604 0.80 SYK (0.41) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL13624594 0.79 L3MBTL1 (0.41) ITGA4ITGB7MMP1MMP3MMP9
SCHEMBL17656214 0.78 MEN1 (0.38) SMN1; SMN2METAP2
SCHEMBL2706217 0.78 MEN1 (0.38) SMN1; SMN2METAP2
SCHEMBL27963815 0.75 CTSK (0.50) CTSKCTSS
SCHEMBL9977214 0.73 CA12 (0.32) CTSK
SCHEMBL9977219 0.73 ATM (0.43) ITGA4ITGB7HDAC3HDAC1HDAC2
SCHEMBL9977221 0.72 ITGA4 (0.39) ITGA4ITGB7ATMCTSKCTSS

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 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ITGA4 4630/4885ITGB7 4509/4885MMP8 2030/4885

“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.