SCHEMBL2383499

SCHEMBL2383499

CCCc1ccc2c(c1)CCc1c(C[C@H](CCC(NC(=O)OC(C)(C)C)C(c3ccccc3)C(C)N3CCCC3)C(=O)O)ncn1-2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.31
CTSL P07711 1/20 0.31
PTPN1 P18031 1/20 0.31
NR1I3 Q14994 1/20 0.31
CTSK P43235 3/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL2234791 0.92 PPARG (0.33) KLK5CTSLKMT2A
SCHEMBL2383561 0.91 GABRA1 (0.33) KLK5CTSLNR1I3CTSKKMT2A
SCHEMBL2237782 0.91 SCN9A (0.35) KLK5CTSLNR1I3CTSK
SCHEMBL2236735 0.90 NR1I3 (0.37) KLK5CTSLNR1I3CTSK
SCHEMBL2235865 0.89 NR1I3 (0.31) NR1I3
SCHEMBL2237182 0.80 MEN1 (0.41) CTSKKMT2A
SCHEMBL2238062 0.80 MEN1 (0.41) CTSKKMT2A
SCHEMBL2233412 0.78 SCN9A (0.39) KLK5CTSLNR1I3CTSKKMT2A
SCHEMBL2236004 0.74 CPB2 (0.44)
SCHEMBL12255867 0.74 CPB2 (0.44)

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 KLK5 2677/4885CTSL 998/4885PTPN1 3416/4885

“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.