SCHEMBL5345787

SCHEMBL5345787

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2CSC(=O)N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
CPB2 Q96IY4 1/20 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
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SRC P12931 1/20 0.36

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
SCHEMBL5344813 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL4845539 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5350106 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
Hydrochloric Acid SCHEMBL5343346 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
Hydrochloric Acid SCHEMBL5363345 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5354964 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5345780 0.82 CACNA1B (0.51) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5756654 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5348668 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
Hydrochloric Acid SCHEMBL5350078 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A

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 5 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
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US 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 3065/4885SMN1; SMN2 297/4885CPB2 3716/4885

“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.