SCHEMBL5016828

SCHEMBL5016828

O=c1ccn(CCCS)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 10/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
CRBN Q96SW2 2/20 0.47
NAAA Q02083 1/20 0.47
PKM P14618 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL5024016 0.89 L3MBTL1 (0.53) DUTL3MBTL1CRBNPKM
SCHEMBL4348697 0.84 L3MBTL1 (0.59) DUTL3MBTL1CRBNPKM
SCHEMBL5016827 0.81 DUT (0.55) DUTL3MBTL1CRBNNAAAPKM
SCHEMBL5017263 0.81 L3MBTL1 (0.58) DUTL3MBTL1CRBNNAAAPKM
SCHEMBL3079985 0.81 DUT (0.56) DUTL3MBTL1CRBNNAAA
SCHEMBL24263706 0.81 DUT (0.55) DUTL3MBTL1CRBNNAAAPKM
SCHEMBL6864606 0.81 DUT (0.57) DUTL3MBTL1CRBNPKM
SCHEMBL4957852 0.81 DUT (0.55) DUTL3MBTL1CRBNNAAAPKM
SCHEMBL8377752 0.80 PKM (0.51) DUTL3MBTL1CRBNPKM
SCHEMBL913206 0.80 DUT (0.55) DUTL3MBTL1NAAAPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 DUT 1678/4885L3MBTL1 166/4885CRBN 2889/4885

“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.