Sugi Predict

Sugi Predict / Compounds / SCHEMBL5364041

SCHEMBL5364041

SCHEMBL5364041

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ REN P00797 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ BIRC2 Q13490 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL5124105 0.90 CACNA1B (0.55) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL5124751 0.90 CACNA1B (0.55) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL5123440 0.90 CACNA1B (0.55) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL4564774 0.90 CACNA1B (0.55) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL5123424 0.90 CACNA1B (0.55) CACNA1BHSD17B10L3MBTL1ATMREN
Bromide SCHEMBL5123866 0.90 CACNA1B (0.54) CACNA1BHSD17B10L3MBTL1ATMREN
Hydrochloric Acid SCHEMBL5117572 0.90 CACNA1B (0.54) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL5117043 0.89 CACNA1B (0.54) CACNA1BHSD17B10L3MBTL1ATMREN
Hydrochloric Acid SCHEMBL5125640 0.89 CACNA1B (0.53) CACNA1BHSD17B10L3MBTL1ATMREN
SCHEMBL5344710 0.88 CACNA1B (0.52) CACNA1BHSD17B10ATMGPR119DRD2

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 9 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
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 CACNA1B 1/4885HSD17B10 1544/4885L3MBTL1 1375/4885

“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.