SCHEMBL4836062

SCHEMBL4836062

O=C(N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
BCL2 P10415 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
P2RX7 Q99572 2/20 0.38
PTGER4 P35408 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 6/20 0.36
MAPK11 Q15759 2/20 0.36
DDR1 Q08345 2/20 0.36
DDR2 Q16832 2/20 0.36
ABL1 P00519 1/20 0.36
FGFR3 P22607 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
MAP3K4 Q9Y6R4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4842665 0.95 CACNA1B (0.50) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4842751 0.92 CACNA1B (0.51) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4836043 0.92 CACNA1B (0.51) CACNA1BBCL2HRH3P2RX7PTGER4
Hydrochloric Acid SCHEMBL4836820 0.92 CACNA1B (0.51) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4844373 0.91 ALDH1A1 (0.45) CACNA1BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4845065 0.91 CACNA1B (0.51) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4845048 0.91 CACNA1B (0.49) CACNA1BBCL2HRH3P2RX7PTGER4
Hydrochloric Acid SCHEMBL4844891 0.91 CACNA1B (0.51) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4845299 0.88 CACNA1B (0.50) CACNA1BBCL2HRH3P2RX7PTGER4
SCHEMBL4843189 0.88 CACNA1B (0.56) CACNA1BBCL2HRH3P2RX7HTT

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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US claimed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885BCL2 3042/4885HRH3 1526/4885

“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.