SCHEMBL4243206

SCHEMBL4243206

CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NCCNOC(N)=S)[C@@H](C)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
KMT2A Q03164 1/20 0.41
TAOK1 Q7L7X3 3/20 0.40
TAOK3 Q9H2K8 2/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F10 P00742 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
GCGR P47871 1/20 0.36
TMPRSS2 O15393 1/20 0.36
PRSS1 P07477 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
SCHEMBL404530 0.83 TAOK1 (0.46) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL1095544 0.83 TAOK1 (0.45) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL403517 0.82 TAOK1 (0.40) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL404042 0.80 TAOK1 (0.41) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL400177 0.77 TAS1R3 (0.50) TAOK1TAOK3LMNATAS1R3TAS1R1
SCHEMBL9994829 0.75 TAOK1 (0.41) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL401432 0.75 TAS1R3 (0.48) TAOK1TAOK3LMNATAS1R3TAS1R1
SCHEMBL405490 0.74 TAOK1 (0.39) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL404846 0.74 KIFC1 (0.40) CTSLCTSSKMT2ATAOK1TAOK3
SCHEMBL403555 0.73 TAOK1 (0.39) CTSLCTSSKMT2ATAOK1TAOK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885KMT2A 4800/4885

“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.