SCHEMBL631410

SCHEMBL631410

O=C1CCc2cc(N3CC(=O)N(Cc4ccccc4)S3(=O)=O)c(OCc3ccccc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
SNRNP200 O75643 1/20 0.39
REV1 Q9UBZ9 1/20 0.37
MAPK14 Q16539 4/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FFAR1 O14842 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL629810 0.90 CHRNA7 (0.39) CHRNA7SNRNP200REV1HDAC6CYP19A1
SCHEMBL630295 0.85 HDAC6 (0.38) CHRNA7SNRNP200REV1HDAC6CYP19A1
SCHEMBL630191 0.76 CHRNA7 (0.36) CHRNA7SNRNP200HDAC6CYP19A1CYP11B1
SCHEMBL630286 0.73 KDM4E (0.38) CHRNA7REV1
SCHEMBL630221 0.70 PTPN1 (0.49) CHRNA7SNRNP200CYP19A1CYP11B1CYP11B2
SCHEMBL629885 0.69 KDM4E (0.36) HDAC6PDE4B
SCHEMBL3927311 0.68 CYP19A1 (0.36) CHRNA7CYP19A1CYP11B1CYP11B2
SCHEMBL647698 0.67 CHRNA7 (0.34) CHRNA7MAPK14CYP19A1CYP11B1CYP11B2
SCHEMBL647136 0.67 CHRNA7 (0.34) CHRNA7CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL647168 0.67 CHRNA7 (0.34) CHRNA7CYP19A1CYP11B1CYP11B2PDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
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
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO 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 4601/4885SNRNP200 4186/4885REV1 3952/4885

“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.