SCHEMBL13624389

SCHEMBL13624389

COc1ccc(NC[C@H](C)NC(=O)C2(NC(c3ccccc3)C(F)(F)F)CCCCC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL4367383 0.91 CTSK (0.51) CTSKMEN1KMT2AMAPTALDH1A1
SCHEMBL13624325 0.90 CTSK (0.49) CTSKMEN1KMT2AMAPTALDH1A1
SCHEMBL13624334 0.78 CTSL (0.51) CTSKMEN1KMT2ACTSL
SCHEMBL13624327 0.72 TAS1R3 (0.44) CTSKMEN1KMT2AALDH1A1MAPK1
SCHEMBL13624329 0.72 CTSL (0.52) CTSKMEN1KMT2ACTSL
SCHEMBL13624324 0.71 TAS1R3 (0.47) CTSKMEN1KMT2AMAPTGAA
SCHEMBL13624172 0.69 TAS1R3 (0.47) CTSKMEN1KMT2AGAAHTT
SCHEMBL13624328 0.69 CTSL (0.58) CTSKMEN1KMT2AALDH1A1CTSL
SCHEMBL13624321 0.69 CTSL (0.57) CTSKMEN1KMT2AMAPTALDH1A1
SCHEMBL13624323 0.69 TAS1R3 (0.46) CTSKMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CTSK 15/4885MEN1 1994/4885KMT2A 3986/4885

“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.