SCHEMBL352857

SCHEMBL352857

CN(Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F)C(=O)[C@H]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 2/20 0.36
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL353453 0.87 ROCK2 (0.50) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL354062 0.87 ROCK2 (0.50) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL353388 0.87 ROCK2 (0.50) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL19119125 0.87 ROCK2 (0.41) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL351943 0.85 ROCK2 (0.44) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL353295 0.85 ROCK2 (0.49) ATG4BROCK2ROCK1RAB9ANPC1
SCHEMBL353081 0.83 ROCK2 (0.50) ATG4BROCK2ROCK1EPHX2NAMPT
SCHEMBL352386 0.78 ROCK2 (0.49) ATG4BROCK2ROCK1SMN1; SMN2EPHX2
SCHEMBL353721 0.78 ROCK2 (0.44) ATG4BROCK2ROCK1SMN1; SMN2EPHX2
SCHEMBL353147 0.77 ROCK2 (0.45) ATG4BROCK2ROCK1EPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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 (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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ATG4B 761/4885ROCK2 4626/4885ROCK1 4747/4885

“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.