SCHEMBL5344716

SCHEMBL5344716

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA1B Q00975 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 2/20 0.36
METAP2 P50579 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL5117954 0.93 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL5112731 0.92 MAPT (0.43) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL7039190 0.91 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL5117826 0.90 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL5124716 0.90 MAPK1 (0.37) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL5117632 0.90 CACNA1B (0.40) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL7202408 0.90 MAPK1 (0.40) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL5113170 0.90 MAPK1 (0.40) ALDH1A1KMT2AMEN1KDM4ENPSR1
SCHEMBL7043953 0.87 MAPK1 (0.41) ALDH1A1KMT2AMEN1KDM4ENPSR1
Hydrochloric Acid SCHEMBL5123628 0.87 MAPK1 (0.41) ALDH1A1KMT2AMEN1KDM4ENPSR1

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
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 3065/4885KMT2A 1929/4885MEN1 2633/4885

“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.