SCHEMBL9989290

SCHEMBL9989290

COc1cc(C(F)(F)F)ccc1-c1cccc2c(COS(C)(=O)=O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.50
SCN5A Q14524 7/20 0.44
CETP P11597 1/20 0.39

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
SCHEMBL9988726 0.82 SCN9A (0.48) SCN9ASCN5ACETP
SCHEMBL9989148 0.79 SCN9A (0.46) SCN9ASCN5ACETP
SCHEMBL9989279 0.79 SCN9A (0.46) SCN9ASCN5ACETP
SCHEMBL12074235 0.75 SCN9A (0.43) SCN9ASCN5ACETP
SCHEMBL12074084 0.73 SCN9A (0.42) SCN9ASCN5ACETP
SCHEMBL15009919 0.70 SCN9A (0.68) SCN9ASCN5A
SCHEMBL14906884 0.70 SCN9A (0.41) SCN9ASCN5ACETP
SCHEMBL14904082 0.70 SCN9A (0.41) SCN9ASCN5ACETP
SCHEMBL16398716 0.69 SRD5A2 (0.47)
SCHEMBL20303666 0.69 IDO1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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 (1 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 SCN9A 2597/4885SCN5A 3135/4885CETP 3579/4885

“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.