Sugi Predict

Sugi Predict / Compounds / SCHEMBL5347374

SCHEMBL5347374

SCHEMBL5347374

COc1ccc(CNC(=O)[C@H](COCC2CCCCC2)NS(=O)(=O)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MMP3 P08254 2/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL5351406 0.89 CACNA1B (0.49) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5349025 0.86 MMP2 (0.51) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL14626491 0.86 CACNA1B (0.53) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5351839 0.82 CACNA1B (0.52) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5356004 0.82 CACNA1B (0.52) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5354524 0.82 ALDH1A1 (0.54) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5362079 0.82 CACNA1B (0.56) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL14591445 0.81 SMN1; SMN2 (0.53) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5354917 0.80 CACNA1B (0.71) CACNA1BCPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5350332 0.80 CACNA1B (0.71) CACNA1BCPB2SMN1; SMN2NPC1RAB9A

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
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
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 CACNA1B 1/4885CPB2 3716/4885SMN1; SMN2 297/4885

“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.