SCHEMBL13610798

SCHEMBL13610798

CC(C)(C)C(=O)c1ncsc1S

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13610838 0.78 NAMPT (0.42) KDM4EPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL9627422 0.75
SCHEMBL13379440 0.74 KDM4E (0.32) KDM4EPKM
SCHEMBL9750585 0.74
SCHEMBL9627221 0.72 KDM4E (0.35) KDM4EPKMALDH1A1
SCHEMBL12868395 0.67 PKM (0.62) KDM4EPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL24557232 0.64
SCHEMBL16311074 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL13543325 0.61 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL2825719 0.60 KDM4E (0.43) KDM4EPKMALDH1A1HPGD

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 KDM4E 2974/4885PKM 1528/4885ALDH1A1 2368/4885

“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.