Sugi Predict

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SCHEMBL5350352

SCHEMBL5350352

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CACNA1B Q00975 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ STS P08842 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 2/20 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
SCHEMBL5348996 0.88 CACNA1B (0.58) MEN1KMT2AALDH1A1CACNA1BGAA
SCHEMBL5356175 0.88 CACNA1B (0.58) MEN1KMT2AALDH1A1CACNA1BGAA
SCHEMBL5352497 0.88 CACNA1B (0.58) MEN1KMT2AALDH1A1CACNA1BGAA
SCHEMBL5347270 0.88 KMT2A (0.58) MEN1KMT2AALDH1A1LMNACACNA1B
SCHEMBL5347274 0.88 KMT2A (0.58) MEN1KMT2AALDH1A1LMNACACNA1B
SCHEMBL5351877 0.87 CACNA1B (0.57) MEN1KMT2AALDH1A1CACNA1BGAA
SCHEMBL5345166 0.87 CACNA1B (0.48) MEN1KMT2AALDH1A1LMNACACNA1B
SCHEMBL5361592 0.87 CACNA1B (0.48) MEN1KMT2AALDH1A1LMNACACNA1B
SCHEMBL5348792 0.86 CACNA1B (0.57) MEN1KMT2AALDH1A1LMNACACNA1B
SCHEMBL5361976 0.86 CACNA1B (0.57) MEN1KMT2AALDH1A1LMNACACNA1B

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 10 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
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 MEN1 2633/4885KMT2A 1929/4885ALDH1A1 3065/4885

“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.