SCHEMBL5344813

SCHEMBL5344813

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@H]2CSCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CPB2 Q96IY4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTR2C P28335 1/20 0.38
BLM P54132 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB10 P40306 1/20 0.37

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
SCHEMBL4845539 1.00 ALDH1A1 (0.46) ALDH1A1CPB2SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5343346 0.99 ALDH1A1 (0.45) ALDH1A1CPB2SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5363345 0.99 ALDH1A1 (0.45) ALDH1A1CPB2SMN1; SMN2NPC1RAB9A
SCHEMBL5350106 0.92 ALDH1A1 (0.45) ALDH1A1CPB2SMN1; SMN2NPC1RAB9A
SCHEMBL4843557 0.90 CACNA1B (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4841873 0.89 CACNA1B (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5352279 0.88 MAPK14 (0.35) POLBMAPTHTR2CSRC
SCHEMBL7042413 0.88 KDM4E (0.41) RAB9ACTSLCTSSKMT2AMEN1
SCHEMBL5349886 0.88 HTR2C (0.51) RAB9AHTR2C
Hydrochloric Acid SCHEMBL5110979 0.87 KDM4E (0.40) RAB9ACTSLCTSSKMT2AMEN1

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 4 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

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 3716/4885SMN1; SMN2 297/4885

“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.