SCHEMBL3579427

SCHEMBL3579427

O=C1CNS(=O)(=O)[N+]1(COCc1ccccc1)c1cc2c(cc1OCc1ccccc1)CC(O)CC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.33
PDE4B Q07343 2/20 0.33
AGTR2 P50052 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
HIF1A Q16665 1/20 0.30
FAAH O00519 2/20 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
SCHEMBL630163 0.72 PTPN1 (0.43) CHRNA7PDE4BAGTR2
SCHEMBL630191 0.70 CHRNA7 (0.36) CHRNA7PDE4BAGTR2FAAH
SCHEMBL3579424 0.68 CYP19A1 (0.35) CHRNA7PDE4BAGTR2
SCHEMBL630295 0.67 HDAC6 (0.38) CHRNA7PDE4BAGTR2
SCHEMBL25339951 0.64 PTPN2 (0.47)
SCHEMBL18983590 0.64 HRH3 (0.59) FAAH
SCHEMBL8536091 0.60 LMNA (0.50) FAAH
SCHEMBL11287345 0.59 MAOA (0.44) AGTR2
SCHEMBL630221 0.57 PTPN1 (0.49) CHRNA7
SCHEMBL10879509 0.56 FAAH (0.46) AGTR2FAAH

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-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC CHRNA7 4601/4885PDE4B 2509/4885AGTR2 424/4885

“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.