SCHEMBL3579424

SCHEMBL3579424

O=C1CNS(=O)(=O)N1COCc1ccccc1-c1cc2c(cc1OCc1ccccc1)CC(O)CC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
HDAC6 Q9UBN7 6/20 0.33
CHRNA7 P36544 2/20 0.33
PDE4B Q07343 1/20 0.33
CRBN Q96SW2 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32
PTGER1 P34995 2/20 0.31
PTGER4 P35408 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
OPRL1 P41146 1/20 0.31
BRD4 O60885 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL630191 0.73 CHRNA7 (0.36) CYP19A1CYP11B1CYP11B2HDAC6CHRNA7
SCHEMBL630163 0.69 PTPN1 (0.43) CYP19A1CYP11B1CYP11B2HDAC6CHRNA7
SCHEMBL630295 0.68 HDAC6 (0.38) CYP19A1CYP11B1CYP11B2HDAC6CHRNA7
SCHEMBL3579427 0.68 CHRNA7 (0.33) CHRNA7PDE4BAGTR2
SCHEMBL25339951 0.62 PTPN2 (0.47)
SCHEMBL18983590 0.61 HRH3 (0.59)
SCHEMBL5892874 0.58 GSK3A (0.49) CRBN
SCHEMBL629810 0.58 CHRNA7 (0.39) CYP19A1CYP11B1CYP11B2HDAC6CHRNA7
SCHEMBL8536091 0.58 LMNA (0.50)
SCHEMBL21054283 0.57 MAOB (0.43) CHRNA7PDE4B

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 CYP19A1 1316/4885CYP11B1 1495/4885CYP11B2 1155/4885

“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.