Sugi Predict

Sugi Predict / Compounds / SCHEMBL7042268

SCHEMBL7042268

SCHEMBL7042268

CC(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCCNCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.66
▸ MMP3 P08254 9/20 0.37
▸ MMP2 P08253 8/20 0.37
▸ MMP1 P03956 7/20 0.37
▸ KLKB1 P03952 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ FCER2 P06734 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 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 SCHEMBL5114395 0.99 CACNA1B (0.65) CACNA1BMMP3MMP2MMP1KLKB1
SCHEMBL5110969 0.91 CACNA1B (0.63) CACNA1BMMP3MMP2MMP1BCHE
Bromide SCHEMBL5113736 0.90 CACNA1B (0.62) CACNA1BMMP3MMP2MMP1BCHE
Hydrochloric Acid SCHEMBL5125655 0.90 CACNA1B (0.62) CACNA1BMMP3MMP2MMP1BCHE
SCHEMBL7043907 0.89 CACNA1B (0.63) CACNA1BMMP3MMP2MMP1BCHE
Malonic Acid SCHEMBL5114326 0.89 CACNA1B (0.61) CACNA1BMMP3MMP2MMP1BCHE
Hydrochloric Acid SCHEMBL5110316 0.88 CACNA1B (0.62) CACNA1BMMP3MMP2MMP1BCHE
SCHEMBL7042271 0.84 CACNA1B (0.48) CACNA1BMMP3MMP2F2F10
Hydrochloric Acid SCHEMBL5114400 0.83 CACNA1B (0.47) CACNA1BMMP2F2F10
SCHEMBL7039749 0.83 CACNA1B (0.59) CACNA1BF2F10

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 — — US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 — — EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 — — US disclosed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 — — US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 — — US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 — — 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885MMP3 2783/4885MMP2 3617/4885

“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.