SCHEMBL13345939

SCHEMBL13345939

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(C)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.59

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
SCHEMBL15082086 0.94 ADAMTS4 (0.58)
SCHEMBL8238668 0.94 SPPL2A (0.55) SPPL2A
SCHEMBL1804866 0.93 SPPL2A (0.60) SPPL2A
SCHEMBL1804868 0.93 SPPL2A (0.60) SPPL2A
SCHEMBL6099960 0.93 SPPL2A (0.60) SPPL2A
SCHEMBL1804867 0.93 SPPL2A (0.60) SPPL2A
SCHEMBL8238222 0.92 SPPL2A (0.53) SPPL2A
SCHEMBL12512740 0.92 SPPL2A (0.53) SPPL2A
SCHEMBL13567521 0.91 SPPL2A (0.58) SPPL2A
SCHEMBL13538009 0.91 SPPL2A (0.58) SPPL2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
US-20080085918-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability; can be used to predict the emergence of drug resistance for a particular replicating biological entity (e.g., a disease-causing cell) in the presence a drug (e.g., an inhibitor) GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMEMT OF HEALTH AND (US) 2008-04-10 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-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 SPPL2A 2411/4885
US-20080085918-A1 Fluorogenic; for measuring anti-HIV protease activity of inhibitor; drug resistance; bioavailability; can be used to predict the emergence of drug resistance for a particular replicating biological entity (e.g., a disease-causing cell) in the presence a drug (e.g., an inhibitor) CTSS, CTSE, FURIN SPPL2A 2290/4885

“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.