SCHEMBL5355207

SCHEMBL5355207

COc1ccc(CN(C)C(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 2/20 0.39
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CCR1 P32246 1/20 0.35
TACR1 P25103 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 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
SCHEMBL5350467 0.86 CACNA1B (0.49) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5349400 0.86 CACNA1B (0.49) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5345730 0.86 CACNA1B (0.49) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5345749 0.86 CACNA1B (0.49) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5355201 0.85 CACNA1B (0.53) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5116993 0.84 CACNA1B (0.41) CACNA1BKMT2AMEN1ATMALDH1A1
SCHEMBL5123633 0.83 CACNA1B (0.43) CACNA1BKMT2AMEN1ATMHSD17B10
SCHEMBL5356382 0.82 CACNA1B (0.69) CACNA1BKMT2AMEN1PSMB8PSMB5
SCHEMBL5118885 0.82 ATM (0.44) CACNA1BKMT2AMEN1ATMHSD17B10
SCHEMBL5117860 0.82 SIGMAR1 (0.41) CACNA1BKMT2AMEN1ATMALDH1A1

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-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
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 CACNA1B 1/4885KMT2A 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.