SCHEMBL1175730

SCHEMBL1175730

Cc1ccc(S(=O)(=O)NC(C(=O)O)[C@H]2CCOC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 2/20 0.55
MMP13 P45452 14/20 0.53
MMP2 P08253 12/20 0.49
MMP3 P08254 12/20 0.49
MMP1 P03956 11/20 0.49
MMP7 P09237 8/20 0.49
MMP9 P14780 6/20 0.48
MMP8 P22894 4/20 0.48
MME P08473 1/20 0.48
MMP14 P50281 1/20 0.48
ADAM17 P78536 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
PLAU P00749 1/20 0.45

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
SCHEMBL12884815 1.00 HPN (0.55) HPNMMP13MMP2MMP3MMP1
SCHEMBL1175732 1.00 HPN (0.55) HPNMMP13MMP2MMP3MMP1
SCHEMBL8004632 1.00 HPN (0.55) HPNMMP13MMP2MMP3MMP1
SCHEMBL1176564 0.93 MMP13 (0.53) HPNMMP13MMP2MMP3MMP1
SCHEMBL1176567 0.93 MMP13 (0.53) HPNMMP13MMP2MMP3MMP1
SCHEMBL12871240 0.86 HPN (0.52) HPNMMP13MMP2MMP3MMP1
SCHEMBL15705592 0.86 HPN (0.52) HPNMMP13MMP2MMP3MMP1
SCHEMBL15711183 0.86 HPN (0.52) HPNMMP13MMP2MMP3MMP1
SCHEMBL12871274 0.86 HPN (0.52) HPNMMP13MMP2MMP3MMP1
SCHEMBL15705595 0.86 HPN (0.52) HPNMMP13MMP2MMP3MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359317-B2 Small molecule inhibitors of HIV proteases PURDUE RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20140135321-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-05-15 US disclosed
US-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES PURDUE RESEARCH FOUNDATION (US) 2011-02-24 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 (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-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES SERPINB1, PRSS1, TMPRSS15 HPN 12/4885MMP13 115/4885MMP2 57/4885
US-20140135321-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES SERPINB1, PRSS1, TMPRSS15 HPN 12/4885MMP13 115/4885MMP2 57/4885

“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.