SCHEMBL10201451

SCHEMBL10201451

CC(C)(C)C(=O)OCN1CCc2ccsc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNQ2 O43526 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13201490 0.73 PRMT5 (0.48) DRD2PRMT5WDR77DRD1DRD3
SCHEMBL13201495 0.73 DRD2 (0.49) DRD2HTR2ADRD1DRD4DRD3
SCHEMBL7942822 0.71 DRD2 (0.42) DRD2HTR1AHTR2ARAB9AALDH1A1
SCHEMBL26121224 0.71 ESR2 (0.40) DRD2ALDH1A1KMT2A
SCHEMBL9850798 0.71 TNF (0.41) DRD2HTR1AHTR2AALDH1A1LMNA
SCHEMBL10264564 0.70 HTR1A (0.36) DRD2HTR1AHTR2AKMT2AGAA
SCHEMBL11435275 0.69 NOTUM (0.46) ALDH1A1POLBMAPTKDM4ERECQL
SCHEMBL9850688 0.68 KDM4E (0.43) DRD2HTR1AHTR2AALDH1A1SMN1; SMN2
SCHEMBL10264333 0.67 KMT2A (0.31) DRD2HTR1AHTR2AKMT2A
SCHEMBL32680849 0.66 L3MBTL1 (0.40) RAB9AALDH1A1NPC1LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 DRD2 4803/4885HTR1A 4477/4885HTR2A 4604/4885

“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.