SCHEMBL5016772

SCHEMBL5016772

O=C(O)CSCCc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.55
RXFP1 Q9HBX9 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK10 P53779 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYSLTR1 Q9Y271 4/20 0.45
CYSLTR2 Q9NS75 3/20 0.45
GPBAR1 Q8TDU6 2/20 0.45
RAB9A P51151 1/20 0.44
PSMB5 P28074 1/20 0.44
MGAM O43451 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALOX5AP P20292 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
SCHEMBL547194 0.79 FFAR1 (0.63) PRNPRXFP1KDM4EMAPK10NPSR1
SCHEMBL5016773 0.78 CYP1A2 (0.53) PRNPRXFP1KDM4EMAPK10NPSR1
SCHEMBL140815 0.75 CYP1A2 (0.65) PRNPRXFP1KDM4EMAPK10NPSR1
SCHEMBL9952773 0.75 CYSLTR1 (0.66) PRNPRXFP1MAPK10NPSR1FFAR1
Acetic Acid SCHEMBL27459479 0.74 CYP1A2 (0.64) PRNPRXFP1KDM4EMAPK10NPSR1
SCHEMBL2913941 0.74 PDE10A (0.61) CYP1A2CYSLTR1CYSLTR2
SCHEMBL8649122 0.74 CYSLTR1 (0.64) PRNPRXFP1MAPK10NPSR1FFAR1
SCHEMBL7831703 0.74 CYSLTR1 (0.64) PRNPRXFP1MAPK10NPSR1FFAR1
SCHEMBL14086502 0.74 PDE10A (0.50) CYP1A2CYSLTR1CYSLTR2
SCHEMBL5017255 0.73 HTT (0.65) MMP12MMP13CYP1A2SMN1; SMN2

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 3 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

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 PRNP 4782/4885RXFP1 1531/4885KDM4E 3516/4885

“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.