SCHEMBL20150987

SCHEMBL20150987

COc1cccc(C=O)c1OCC(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.48
▸ HTT P42858 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TLR2 O60603 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ TLR1 Q15399 1/20 0.45
▸ TLR6 Q9Y2C9 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL20150700 0.87 SRC (0.51) SRCHTTTSHRTLR2ERN1
SCHEMBL2555240 0.81 SRC (0.56) SRCHTTTSHRTLR2ERN1
SCHEMBL20150988 0.81 SRC (0.56) SRCTLR2ERN1TLR1TLR6
SCHEMBL29952197 0.79 ALDH1A1 (0.56) SRCHTTTSHRTLR2ERN1
SCHEMBL29954418 0.78 POLB (0.57) SRCTLR2ERN1TLR1TLR6
SCHEMBL2555444 0.78 SRC (0.52) SRCHTTTSHRTLR2ERN1
SCHEMBL2553815 0.78 SRC (0.52) SRCTLR2ERN1TLR1TLR6
SCHEMBL2556798 0.77 HSD17B10 (0.53) SRCHTTTSHRTLR2ERN1
SCHEMBL2554736 0.77 PTGDR2 (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL2557724 0.76 SRC (0.50) SRCHTTTSHRTLR2ERN1

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 SRC 3807/4885HTT 1861/4885TSHR 4829/4885
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 SRC 3807/4885HTT 1861/4885TSHR 4829/4885

“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.

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