SCHEMBL5354495

SCHEMBL5354495

CC(C)(C)OC(=O)NC(COCc1ccccc1)C(=O)Nc1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.66
PPARA Q07869 3/20 0.63
PPARG P37231 2/20 0.58
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
RAB9A P51151 1/20 0.51
AAK1 Q2M2I8 2/20 0.50
CTSK P43235 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
REN P00797 1/20 0.47
HDAC1 Q13547 1/20 0.47
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL24485486 1.00 CTSS (0.66) CTSSPPARAPPARGKLK7KLK5
SCHEMBL4080656 0.87 AAK1 (0.55) CTSSPPARAPPARGAAK1CTSK
SCHEMBL5356939 0.86 CTSS (0.56) CTSSPPARAPPARGKLK7KLK5
SCHEMBL7104052 0.85 CTSS (0.72) CTSSPPARAPPARGKLK7KLK5
SCHEMBL824968 0.84 CTSS (0.73) CTSSPPARAPPARGKLK7KLK5
SCHEMBL1447031 0.84 CTSS (0.73) CTSSPPARAPPARGKLK7KLK5
SCHEMBL1374141 0.84 CTSS (0.54) CTSSPPARAPPARGKLK7KLK5
SCHEMBL1374139 0.84 CTSS (0.54) CTSSPPARAPPARGKLK7KLK5
SCHEMBL29979082 0.83 PPARA (0.76) CTSSPPARAPPARGKLK7KLK5
SCHEMBL3683228 0.83 CTSS (0.75) CTSSPPARAPPARGKLK7KLK5

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-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 CN disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CTSS 1885/4885PPARA 4335/4885PPARG 4040/4885

“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.