Sugi Predict

Sugi Predict / Compounds / SCHEMBL5344710

SCHEMBL5344710

SCHEMBL5344710

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MC4R P32245 1/20 0.37
▸ MC5R P33032 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL5117950 0.93 CACNA1B (0.46) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5112728 0.92 CACNA1B (0.49) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL7039188 0.91 CACNA1B (0.48) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5113167 0.90 CACNA1B (0.53) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5117630 0.90 CACNA1B (0.51) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5124712 0.90 CACNA1B (0.51) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5117824 0.89 KDM4E (0.53) CACNA1BHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5364041 0.88 CACNA1B (0.54) CACNA1BHSD17B10ALDH1A1ATMGPR119
SCHEMBL7043951 0.87 CACNA1B (0.56) CACNA1BHSD17B10KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL5123627 0.87 CACNA1B (0.56) CACNA1BHSD17B10KMT2AALDH1A1MEN1

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 1544/4885KMT2A 1929/4885

“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.