SCHEMBL4138325

SCHEMBL4138325

Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](COS(N)(=O)=O)C(O)C1O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 19/20 0.62
HSPA5 P11021 1/20 0.57

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
SCHEMBL4138320 1.00 ATG7 (0.62) ATG7HSPA5
SCHEMBL11216469 0.84 SIRT2 (0.73)
SCHEMBL4126987 0.82 HSPA8 (0.80) HSPA5
SCHEMBL4126993 0.82 HSPA8 (0.80) HSPA5
SCHEMBL14201601 0.82 CA1 (0.73)
SCHEMBL30208039 0.82 CA1 (0.73)
SCHEMBL2294870 0.82 CA1 (0.73)
SCHEMBL2294876 0.82 CA1 (0.73)
SCHEMBL20142035 0.79 ATG7 (0.80) ATG7
SCHEMBL29592471 0.76 ADK (0.69) ATG7

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-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
WO-2006113615-A2 ANTI-MICROBIAL AGENTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-26 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH ATG7 1041/4885HSPA5 1808/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH ATG7 1041/4885HSPA5 1808/4885

“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.