SCHEMBL5354944

SCHEMBL5354944

CN(C)c1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)C2NCCS2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.35
MAPK11 Q15759 1/20 0.35
GAA P10253 1/20 0.35
SRC P12931 1/20 0.35
KCNH2 Q12809 3/20 0.35
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34
TP53 P04637 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5350191 1.00 MAPK14 (0.35) MAPK14MAPK11GAASRCKCNH2
SCHEMBL5353018 0.88 ALDH1A1 (0.46) SRCPOLBMAPTALDH1A1
SCHEMBL5344669 0.88 ALDH1A1 (0.46) SRCPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL5428604 0.87 ALDH1A1 (0.45) SRCPOLBMAPTALDH1A1
SCHEMBL5344275 0.85 EPHX1 (0.43) GAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL5352293 0.85 EPHX1 (0.43) GAAMAPTALDH1A1
SCHEMBL5352279 0.83 MAPK14 (0.35) MAPK14MAPK11GAASRCKCNH2
SCHEMBL5350180 0.81 CACNA1B (0.45) GAAKCNH2TP53HTR2CHTR2B
SCHEMBL5356588 0.78 GAA (0.36) MAPK14MAPK11GAASRCTP53
SCHEMBL5350106 0.75 ALDH1A1 (0.45) HTR2CHTR2BPOLBMAPTALDH1A1

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 MAPK14 1083/4885MAPK11 971/4885GAA 3754/4885

“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.