SCHEMBL3522036

SCHEMBL3522036

O=C(O)CCC(=O)c1ccc(C=S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.59
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 3/20 0.56
LMNA P02545 2/20 0.56
FFAR1 O14842 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 1/20 0.53
USP5 P45974 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MMP2 P08253 2/20 0.49
MMP12 P39900 2/20 0.49
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL10353454 0.83 NR4A2 (0.81) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL9352244 0.82 KMT2A (0.45) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL11007773 0.81 RAB9A (0.39) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL8206307 0.77 NR4A2 (0.71) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL10884944 0.77 SMN1; SMN2 (0.88) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL6631996 0.76 GSK3B (0.57) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL7488010 0.76 SMN1; SMN2 (0.52) KMT2ARAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2632218 0.75 RAB9A (0.68) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL354105 0.74 NR4A2 (1.00) NR4A2KMT2ACYP1A2LMNAFFAR1
SCHEMBL315780 0.74 ALDH1A1 (0.62) KMT2ASMN1; SMN2ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US claimed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US claimed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO claimed
US-7691889-B2 Antimycobacterial compounds LUPIN LIMITED (IN) 2010-04-06 US disclosed
US-20050192275-A1 Novel antimycobacterial compounds LUPIN LIMITED (IN) 2005-09-01 US disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 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-20050192275-A1 Novel antimycobacterial compounds MDH1, IMMT, MLYCD NR4A2 4005/4885KMT2A 3434/4885CYP1A2 4115/4885

“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.