Sugi Predict

Sugi Predict / Compounds / SCHEMBL4842730

SCHEMBL4842730

SCHEMBL4842730

O=C(O)CN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.72
▸ METAP2 P50579 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ FCER2 P06734 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ KCNT1 Q5JUK3 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ PTGER4 P35408 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
Hydrochloric Acid SCHEMBL4836808 0.99 CACNA1B (0.72) CACNA1BMETAP2HRH3BCL2P2RX7
SCHEMBL4836053 0.92 CACNA1B (0.72) CACNA1BMETAP2HRH3BCL2P2RX7
SCHEMBL4842655 0.91 CACNA1B (0.71) CACNA1BMETAP2HRH3BCL2P2RX7
SCHEMBL4836033 0.90 CACNA1B (0.72) CACNA1BMETAP2HRH3BCL2P2RX7
SCHEMBL4845039 0.90 CACNA1B (0.69) CACNA1BMETAP2HRH3BCL2P2RX7
Hydrochloric Acid SCHEMBL4844885 0.90 CACNA1B (0.71) CACNA1BMETAP2HRH3BCL2P2RX7
SCHEMBL4842928 0.90 CACNA1B (0.67) CACNA1BMETAP2HRH3BCL2CTSS
SCHEMBL4845051 0.89 CACNA1B (0.70) CACNA1BMETAP2HRH3BCL2P2RX7
Hydrochloric Acid SCHEMBL4839604 0.89 CACNA1B (0.66) CACNA1BMETAP2HRH3BCL2CTSS
SCHEMBL4845286 0.87 CACNA1B (0.70) CACNA1BMETAP2HRH3BCL2P2RX7

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 5 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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 — — US 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 2/4885METAP2 644/4885HRH3 1526/4885

“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.