SCHEMBL17308677

SCHEMBL17308677

C[N+](C)(C)C(Cc1[nH]cnc1SC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL17308620 1.00 POLB (0.36) POLBALPLALPGALDH1A1HPGD
SCHEMBL19996541 0.91 POLB (0.49) POLBALPLALPGALDH1A1HPGD
SCHEMBL19996546 0.91 POLB (0.49) POLBALPLALPGALDH1A1HPGD
SCHEMBL17308656 0.84 CYP2C19 (0.32) POLBALPLALPG
SCHEMBL17308681 0.82 CYP2C19 (0.34) POLBALPLALPGCYP1A2
SCHEMBL17308623 0.81 SLC7A5 (0.42) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL19085686 0.78 ALDH1A1 (0.34) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL17308680 0.72 CYP2C19 (0.35) POLBALPLALPGGAA
SCHEMBL19996547 0.70 POLB (0.45) POLBALPLALPGGAA
SCHEMBL19499945 0.65 GABRR1 (0.38) POLBALPLALPGGAA

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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US disclosed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 WO 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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 POLB 4836/4885ALPL 3599/4885ALPG 4640/4885

“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.