Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845129

SCHEMBL4845129

SCHEMBL4845129

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC[S@+]2[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CACNA1B Q00975 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ STS P08842 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36

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
SCHEMBL6402029 0.87 MEN1 (0.49) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL5353390 0.85 KMT2A (0.56) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL4836119 0.85 KMT2A (0.46) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL4845114 0.85 CACNA1B (0.48) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL5350359 0.84 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL5350729 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL5344798 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL5753566 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL4844863 0.83 KMT2A (0.47) ALDH1A1LMNAKMT2AMEN1CACNA1B
SCHEMBL5352649 0.82 KMT2A (0.48) ALDH1A1LMNAKMT2AMEN1CACNA1B

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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 — — 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 ALDH1A1 3828/4885LMNA 1249/4885KMT2A 1156/4885

“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.