SCHEMBL16670243

SCHEMBL16670243

COc1ccc(N(CC(C)C)C(=O)C(Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 1/20 0.46
FPR2 P25090 1/20 0.44
KMT2A Q03164 1/20 0.42
PTPRB P23467 1/20 0.41
GAA P10253 1/20 0.40
BMP1 P13497 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KEAP1 Q14145 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL16670242 1.00 MMP1 (0.46) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670307 0.91 FPR2 (0.45) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670359 0.91 PTPRB (0.51) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670358 0.91 PTPRB (0.51) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670305 0.91 FPR2 (0.45) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16669813 0.90 KMT2A (0.46) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16669814 0.90 KMT2A (0.46) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670480 0.88 MMP2 (0.43) MMP1MMP2MMP9MMP8FPR2
SCHEMBL18057224 0.88 MMP2 (0.43) MMP1MMP2MMP9MMP8FPR2
SCHEMBL16670481 0.88 MMP2 (0.43) MMP1MMP2MMP9MMP8FPR2

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 5 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-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

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.