Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845009

SCHEMBL4845009

SCHEMBL4845009

CC(C)(O)CC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.55
▸ TACR1 P25103 2/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ CTSS P25774 2/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ MAPK14 Q16539 4/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL4843256 0.92 CACNA1B (0.57) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL4842875 0.91 CACNA1B (0.55) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL4843189 0.91 CACNA1B (0.56) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL4836024 0.91 CACNA1B (0.56) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL5361323 0.90 CACNA1B (0.61) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL4844846 0.89 CACNA1B (0.56) CACNA1BTACR1HRH3NPY5RCTSS
SCHEMBL4841915 0.89 CACNA1B (0.59) CACNA1BTACR1HRH3BCL2ALDH1A1
SCHEMBL4845065 0.88 CACNA1B (0.51) CACNA1BTACR1HRH3BCL2MAPK14
SCHEMBL4840088 0.87 CACNA1B (0.53) CACNA1BTACR1HRH3CTSSCPB2
SCHEMBL5755687 0.86 CACNA1B (0.73) CACNA1BTACR1HRH3NPY5RCTSS

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 7 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
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 — — 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 2/4885TACR1 996/4885HRH3 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.