SCHEMBL16669642

SCHEMBL16669642

COc1cccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
PYGL P06737 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
FPR2 P25090 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
BMP1 P13497 1/20 0.40

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
SCHEMBL16669644 1.00 MMP1 (0.45) MMP1MMP2MMP9MMP8POLB
SCHEMBL16670299 0.91 FPR2 (0.47) MMP1MMP2MMP9MMP8POLB
SCHEMBL16670298 0.91 FPR2 (0.47) MMP1MMP2MMP9MMP8POLB
SCHEMBL16669942 0.90 MMP9 (0.51) MMP1MMP2MMP9MMP8POLB
SCHEMBL16669943 0.90 MMP9 (0.51) MMP1MMP2MMP9MMP8POLB
SCHEMBL16681953 0.89 ALDH1A1 (0.47) MMP2MMP9POLBALDH1A1ALOX15
SCHEMBL16670276 0.89 MMP9 (0.47) MMP1MMP2MMP9MMP8POLB
SCHEMBL16670279 0.89 MMP9 (0.47) MMP1MMP2MMP9MMP8POLB
SCHEMBL16669864 0.88 MMP1 (0.46) MMP1MMP2MMP9MMP8POLB
SCHEMBL16670159 0.88 MMP9 (0.44) MMP1MMP2MMP9MMP8POLB

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 3144/4885MMP2 1544/4885MMP9 2601/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MMP1 3205/4885MMP2 1711/4885MMP9 2622/4885

“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.