SCHEMBL16670605

SCHEMBL16670605

COc1ccc(N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.42
MMP9 P14780 9/20 0.42
MMP13 P45452 8/20 0.42
ADAM17 P78536 6/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
NLRP3 Q96P20 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
NAMPT P43490 4/20 0.40
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL16670607 1.00 MMP1 (0.42) MMP1MMP9MMP13ADAM17HCRTR1
SCHEMBL16670467 0.91 MMP2 (0.42) MMP1MMP9MMP2MMP8NAMPT
SCHEMBL16670470 0.91 MMP2 (0.42) MMP1MMP9MMP2MMP8NAMPT
SCHEMBL16670298 0.90 FPR2 (0.47) MMP1MMP9MMP2MMP8USP30
SCHEMBL16670299 0.90 FPR2 (0.47) MMP1MMP9MMP2MMP8USP30
SCHEMBL16670072 0.85 KMT2A (0.42) MMP1MMP9NLRP3MMP2MMP8
SCHEMBL16670070 0.85 KMT2A (0.42) MMP1MMP9NLRP3MMP2MMP8
SCHEMBL16670286 0.85 MMP1 (0.38) MMP1MMP9MMP2MMP8ALDH1A1
SCHEMBL16670289 0.85 MMP1 (0.38) MMP1MMP9MMP2MMP8ALDH1A1
SCHEMBL16669943 0.82 MMP9 (0.51) MMP1MMP9MMP2MMP8GAA

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G MMP1 3144/4885MMP9 2601/4885MMP13 3736/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MMP1 3205/4885MMP9 2622/4885MMP13 3821/4885

“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.