SCHEMBL20150703

SCHEMBL20150703

COc1cccc(C=O)c1OCc1nc(=S)o[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SRC P12931 1/20 0.42
CA9 Q16790 1/20 0.40
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
GSK3A P49840 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDE4B Q07343 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
NFE2L2 Q16236 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34
ALOX12 P18054 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
SCHEMBL20150495 0.87 NPC1 (0.48) NPC1RAB9ASRCCA9TLR2
SCHEMBL20137723 0.77 ACMSD (0.59) GSK3AKDM4EACMSDKMT2ANPSR1
SCHEMBL20137724 0.77 ACMSD (0.59) GSK3AKDM4EACMSDKMT2ANPSR1
SCHEMBL20068056 0.75 NPC1 (0.48) NPC1RAB9ASRCCA9TLR2
SCHEMBL20137819 0.75 SRC (0.48) NPC1RAB9ASRCCA9TLR2
SCHEMBL1125257 0.74 SRC (0.58) NPC1RAB9ASRCTLR2ERN1
SCHEMBL28129638 0.72 KDM4E (0.60) NPC1RAB9ASRCERN1KDM4E
SCHEMBL1125006 0.72 KDM4E (0.60) NPC1RAB9ASRCERN1KDM4E
SCHEMBL10900536 0.71 NPC1 (0.54) NPC1RAB9ASRCTLR2ERN1
SCHEMBL636851 0.71 NPC1 (0.57) NPC1RAB9ASRCCA9TLR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2021-07-29 US disclosed
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 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 (2 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-20210230123-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SRC 3807/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SRC 3807/4885

“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.