SCHEMBL5017273

SCHEMBL5017273

O=C(O)CSCCCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
ALPG P10696 2/20 0.47
HTT P42858 2/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.43
HRH1 P35367 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL5069416 0.89 MMP12 (0.64) MMP12MMP13SMN1; SMN2ALPGHTT
SCHEMBL5025501 0.85 MMP12 (0.69) MMP12MMP13SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8923083 0.81 TSHR (0.45) MMP12MMP13SMN1; SMN2CYP2C9CYP2D6
SCHEMBL709703 0.80 MMP12 (0.67) MMP12MMP13SMN1; SMN2CYP2C9TSHR
SCHEMBL8331326 0.79 HTT (0.56) MMP12MMP13SMN1; SMN2ALPGHTT
SCHEMBL29308029 0.79 MMP12 (0.65) MMP12MMP13SMN1; SMN2CYP2C9HSD17B10
SCHEMBL5023978 0.78 ALDH1A1 (0.49) SMN1; SMN2HTTTSHRALDH1A1HSD17B10
SCHEMBL1624984 0.77 HDAC3 (0.67) SMN1; SMN2CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL18488258 0.76 MMP12 (0.53) MMP12MMP13SMN1; SMN2CYP2C9CYP1A2
SCHEMBL1677606 0.76 MAPT (0.66) SMN1; SMN2CYP2C9CYP1A2CYP2C19ALDH1A1

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 MMP12 416/4885MMP13 1337/4885SMN1; SMN2 435/4885

“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.