SCHEMBL16670358

SCHEMBL16670358

COc1ccc(N(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.51
FPR2 P25090 1/20 0.45
MMP9 P14780 4/20 0.45
MMP1 P03956 3/20 0.45
MMP2 P08253 2/20 0.45
MMP8 P22894 1/20 0.45
KMT2A Q03164 1/20 0.43
RNF4 P78317 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
PDK1 Q15118 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP13 P45452 2/20 0.41
BMP1 P13497 2/20 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
SCHEMBL16670359 1.00 PTPRB (0.51) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670144 0.95 PTPRB (0.47) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670145 0.95 PTPRB (0.47) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670305 0.93 FPR2 (0.45) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670307 0.93 FPR2 (0.45) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670242 0.91 MMP1 (0.46) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16669813 0.91 KMT2A (0.46) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16670243 0.91 MMP1 (0.46) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL16669814 0.91 KMT2A (0.46) PTPRBFPR2MMP9MMP1MMP2
SCHEMBL18057224 0.90 MMP2 (0.43) PTPRBFPR2MMP9MMP1MMP2

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 PTPRB 3674/4885FPR2 4162/4885MMP9 2601/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E PTPRB 3692/4885FPR2 4096/4885MMP9 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.