Sugi Predict

Sugi Predict / Compounds / SCHEMBL4842922

SCHEMBL4842922

SCHEMBL4842922

O=C(N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1C(=O)CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.53
▸ PSMB9 P28065 3/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ PSMB8 P28062 3/20 0.38
▸ PSMB10 P40306 2/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ TACR2 P21452 2/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ CTSD P07339 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
SCHEMBL4843189 0.89 CACNA1B (0.56) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL4842941 0.88 CACNA1B (0.48) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL5361323 0.87 CACNA1B (0.61) CACNA1BMAPK14HRH3ALDH1A1HTT
Hydrochloric Acid SCHEMBL4839612 0.87 CACNA1B (0.47) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL4836024 0.87 CACNA1B (0.56) CACNA1BMAPK14HRH3ALDH1A1TACR1
SCHEMBL4845009 0.86 CACNA1B (0.55) CACNA1BMAPK14HRH3ALDH1A1TACR1
SCHEMBL4842875 0.86 CACNA1B (0.55) CACNA1BMAPK14HRH3ALDH1A1TACR1
SCHEMBL4844846 0.85 CACNA1B (0.56) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL4841915 0.85 CACNA1B (0.59) CACNA1BHRH3ALDH1A1TACR1BCL2
SCHEMBL4842916 0.85 CACNA1B (0.73) CACNA1BPSMB9PSMB8PSMB10PSMB5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 — — US claimed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 — — US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 — — EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 — — US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 — — US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 — — 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885PSMB9 1894/4885MAPK14 1528/4885

“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.