Sugi Predict

Sugi Predict / Compounds / SCHEMBL5347270

SCHEMBL5347270

SCHEMBL5347270

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CACNA1B Q00975 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5347274 1.00 KMT2A (0.58) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5349378 0.90 CACNA1B (0.60) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL14591493 0.90 CACNA1B (0.61) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5345740 0.89 CACNA1B (0.69) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5350462 0.89 CACNA1B (0.69) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5345727 0.89 CACNA1B (0.69) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5349399 0.89 CACNA1B (0.69) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL4844855 0.88 CACNA1B (0.50) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL4843052 0.88 CACNA1B (0.52) KMT2AMEN1CACNA1BALDH1A1LMNA
SCHEMBL5350352 0.88 MEN1 (0.56) KMT2AMEN1CACNA1BALDH1A1LMNA

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
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
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 KMT2A 1929/4885MEN1 2633/4885CACNA1B 1/4885

“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.