Sugi Predict

Sugi Predict / Compounds / SCHEMBL5350346

SCHEMBL5350346

SCHEMBL5350346

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.62
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ REN P00797 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CTSD P07339 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL5112735 0.90 CACNA1B (0.66) CACNA1BATMMEN1KMT2AHSD17B10
SCHEMBL5350462 0.89 CACNA1B (0.69) CACNA1BCTSLCTSSATMMEN1
SCHEMBL5345740 0.89 CACNA1B (0.69) CACNA1BCTSLCTSSATMMEN1
SCHEMBL5345727 0.89 CACNA1B (0.69) CACNA1BCTSLCTSSATMMEN1
SCHEMBL5349399 0.89 CACNA1B (0.69) CACNA1BCTSLCTSSATMMEN1
SCHEMBL5355436 0.88 CACNA1B (0.64) CACNA1BATMMEN1KMT2AHSD17B10
SCHEMBL4841903 0.87 CACNA1B (0.81) CACNA1BCTSSATMMEN1KMT2A
SCHEMBL5350298 0.87 CACNA1B (0.62) CACNA1BATMMEN1KMT2AHSD17B10
SCHEMBL5124804 0.85 CACNA1B (0.67) CACNA1BATMMEN1KMT2AHSD17B10
SCHEMBL5355122 0.85 CACNA1B (0.45) CACNA1BCTSLCTSSCTSKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP claimed
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
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 — — 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885CTSL 3085/4885CTSS 1885/4885

“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.