SCHEMBL9989085

SCHEMBL9989085

O=S(=O)(Oc1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.48
SCN5A Q14524 1/20 0.48
KIF11 P52732 1/20 0.43
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARD Q03181 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 1/20 0.39
BACE1 P56817 1/20 0.38
EPHX2 P34913 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL12074743 0.90 PPARG (0.44) SCN9ASCN5APPARGPPARACA1
SCHEMBL9988773 0.90 CA1 (0.46) SCN9ASCN5APPARGPPARACA1
SCHEMBL12074737 0.88 PPARG (0.40) SCN9ASCN5APPARGPPARACA1
SCHEMBL17754455 0.85 PPARG (0.41) SCN9ASCN5APPARGPPARACA1
SCHEMBL12074941 0.83 CA1 (0.42) SCN9ASCN5APPARGPPARACA1
SCHEMBL12074894 0.82 PPARG (0.36) SCN9ASCN5APPARGPPARACA1
SCHEMBL15205251 0.82 PPARG (0.47) PPARGPPARACA1CA2CA9
SCHEMBL9990013 0.81 PPARG (0.42) SCN9APPARGPPARAPPARDCYP2C9
SCHEMBL26549483 0.79 KIF11 (0.55) KIF11CA1CA2CA9
SCHEMBL17060315 0.79 PPARG (0.43) PPARGPPARACA1CA2CA9

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 6 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-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
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 3135/4885KIF11 4036/4885

“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.