SCHEMBL3383485

SCHEMBL3383485

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCC(O)CP(=O)(CC1CCCCC1)OCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.47
CTSL P07711 5/20 0.46
CTSS P25774 2/20 0.44
CASP3 P42574 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
ECE1 P42892 4/20 0.43
MME P08473 3/20 0.43
CTSB P07858 3/20 0.43
CTSK P43235 2/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
ELANE P08246 2/20 0.42
CA1 P00915 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRTN3 P24158 1/20 0.41

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
SCHEMBL3383468 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3383475 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3385911 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3386527 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3385912 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3386518 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3385905 1.00 CTSD (0.47) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3381422 0.98 CTSL (0.46) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3381419 0.98 CTSL (0.46) CTSDCTSLCTSSCASP3CASP1
SCHEMBL3381413 0.98 CTSL (0.46) CTSDCTSLCTSSCASP3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828974-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2014-09-09 US disclosed
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2012-08-16 US disclosed
US-8183231-B2 Substituted propane phosphinic acid derivatives AVENTIS PHARMACEUTICALS INC. (US) 2012-05-22 US disclosed
EP-1765850-B1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMA INC (US) 2010-12-01 EP disclosed
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 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 (2 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-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CTSD 3894/4885CTSL 3298/4885CTSS 3048/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CTSD 3894/4885CTSL 3298/4885CTSS 3048/4885

“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.