SCHEMBL5353545

SCHEMBL5353545

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)C2CCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 2/20 0.47
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
MAPT P10636 1/20 0.46
CTSK P43235 1/20 0.46
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CPB2 Q96IY4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5755030 0.83 ALDH1A1 (0.49) ALDH1A1GAACTSLCTSSNPC1
SCHEMBL5349928 0.83 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSSNPC1
Hydrochloric Acid SCHEMBL5353995 0.83 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSSNPC1
SCHEMBL5756654 0.83 ALDH1A1 (0.61) ALDH1A1CTSLCTSSNPC1RAB9A
Hydrochloric Acid SCHEMBL5350078 0.82 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSSNPC1
SCHEMBL5348668 0.82 ALDH1A1 (0.48) ALDH1A1CTSLCTSSMAPTNPC1
SCHEMBL5362293 0.81 ALDH1A1 (0.53) ALDH1A1CTSLCTSSMAPTNPC1
SCHEMBL5354964 0.81 ALDH1A1 (0.47) ALDH1A1CTSLCTSSMAPTNPC1
SCHEMBL5353537 0.80 ALDH1A1 (0.52) ALDH1A1GAAHPGDCTSLCTSS
SCHEMBL5344748 0.80 ALDH1A1 (0.51) ALDH1A1GAAHPGDCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A ALDH1A1 3065/4885GAA 3754/4885HPGD 2041/4885

“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.