SCHEMBL13402255

SCHEMBL13402255

CC(=O)Oc1ccccc1SSc1ncccc1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.46
PTPN1 P18031 1/20 0.41
PDE5A O76074 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13402046 0.81 ALDH1A1 (0.47) PTGS2KDM4ECYP3A4
SCHEMBL942835 0.81 PTGS2 (0.64) PTGS2KDM4ETDP1
SCHEMBL245135 0.73 NOS3 (0.50) KDM4E
SCHEMBL13402253 0.73 PTGS2 (0.58) PTGS2KDM4ETDP1
SCHEMBL10472323 0.71 PTGS2 (0.50) PTGS2
SCHEMBL13458380 0.71 KDM4E (0.51) PTGS2PTPN1PDE5AKDM4ECYP3A4
SCHEMBL5355341 0.70 PTGS2 (0.64) PTGS2KDM4ETDP1
SCHEMBL30179347 0.70 PTGS2 (0.59) PTGS2PTPN1KDM4ETDP1
SCHEMBL172737 0.70 PTGS2 (0.59) PTGS2PTPN1KDM4ETDP1
SCHEMBL13402386 0.70 GABRA1 (0.35)

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-8754192-B2 Compositions comprising homogeneously glycosylated erythropoietin SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-06-17 US disclosed
US-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation EPOR, LIFR, LNPEP PTGS2 2438/4885PTPN1 920/4885PDE5A 3766/4885

“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.