SCHEMBL3381422

SCHEMBL3381422

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

nearest known ligand 0.46

Predicted protein targets (top 20)

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

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
SCHEMBL3381413 1.00 CTSL (0.46) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3381419 1.00 CTSL (0.46) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3383475 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3386518 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3383485 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3383468 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3385905 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3386527 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3385912 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3
SCHEMBL3385911 0.98 CTSD (0.47) CTSLCTSSCTSDCASP1CASP3

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 7 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
EP-1765850-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES Aventis Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
US-20070060502-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
WO-2005118618-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. (US) 2005-12-15 WO 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 CTSL 3298/4885CTSS 3048/4885CTSD 3894/4885
US-20120208784-A1 SUBSTITUTED PROPANE PHOSPHINIC ACID DERIVATIVES PHOSPHO1, PTEN, PLCB1 CTSL 3298/4885CTSS 3048/4885CTSD 3894/4885

“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.