SCHEMBL5349698

SCHEMBL5349698

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2SCCN2C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CPB2 Q96IY4 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.39
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB2 P49721 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL5753566 0.91 ALDH1A1 (0.46) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5350729 0.91 ALDH1A1 (0.46) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5344798 0.91 ALDH1A1 (0.46) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5348668 0.84 ALDH1A1 (0.48) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5110337 0.83 KMT2A (0.37) ALDH1A1KMT2ALMNAMEN1
SCHEMBL5349693 0.82 CACNA1B (0.52) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5344669 0.81 ALDH1A1 (0.46) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5353018 0.81 ALDH1A1 (0.46) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5354964 0.81 ALDH1A1 (0.47) ALDH1A1CPB2NPC1RAB9ASMN1; SMN2
SCHEMBL5356588 0.81 GAA (0.36) ALDH1A1KMT2ALMNAMEN1MAPT

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 3065/4885CPB2 3716/4885NPC1 534/4885

“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.